Rifaximin

Identification

Name

Rifaximin

Accession Number

DB01220

Description

Rifaximin is a semisynthetic, rifamycin-based non-systemic antibiotic, meaning that the drug will not pass the gastrointestinal wall into the circulation as is common for other types of orally administered antibiotics. It has multiple indications and is used in treatment of traveller's diarrhea caused by E. coli; reduction in risk of overt hepatic encephalopathy recurrence; as well as diarrhea-predominant irritable bowel syndrome (IBS-D) in adult women and men. It is marketed under the brand name Xifaxan by Salix Pharmaceuticals.

Type

Small Molecule

Groups

Approved, Investigational

Structure

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MOLSDFPDBSMILESInChI

Similar Structures

Structure for Rifaximin (DB01220)

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Weight

Average: 785.8785
Monoisotopic: 785.352359489

Chemical Formula

C₄₃H₅₁N₃O₁₁

Synonyms

• Rifamycin L 105
• Rifamycin L 105SV
• Rifaxidin
• Rifaximin
• Rifaximina
• Rifaximine
• Rifaximinun

Pharmacology

Indication

Rifaximin has multiple indications by the FDA: for the treatment of patients (≥12 years of age) with traveller's diarrhea caused by noninvasive strains of Escherichia coli; for the reduction of overt hepatic encephalopathy recurrence in patients ≥18 years of age; and in May 2015 it was approved for irritable bowel syndrome with diarrhea (IBS-D) treatment in adult men and women.

Associated Conditions

• Bacterial Infections
• Clostridium difficile infection recurrence
• Hepatic Encephalopathy (HE)
• Irritable Bowel Syndrome (IBS)
• Travelers' Diarrhea

Contraindications & Blackbox Warnings

Learn about our commercial Contraindications & Blackbox Warnings data.

Learn More

Pharmacodynamics

Rifaximin is a structural analog of rifampin and a non-systemic, gastrointestinal site-specific antibiotic. This non-systemic property of the drug is due to the addition of a pyridoimidazole ring, which renders it non-absorbable. Rifaximin acts by inhibiting bacterial ribonucleic acid (RNA) synthesis and contributes to restore intestinal microflora imbalance. Other studies have also shown rifaximin to be an pregnane X receptor (PXR) activator. As PXR is responsible for inhibiting the proinflammatory transcription factor NF-kappa B (NF-κB) and is inhibited in inflammatory bowel disease (IBD), rifaximin was proven to be effective for the treatment of IBS-D.

Mechanism of action

Rifaximin acts by inhibiting RNA synthesis in susceptible bacteria by binding to the beta-subunit of bacterial deoxyribonucleic acid (DNA)-dependent ribonucleic acid (RNA) polymerase enzyme. This binding blocks translocation, which stops transcription.

Target	Actions	Organism
ADNA-directed RNA polymerase subunit beta	inhibitor	Escherichia coli (strain K12)
NNuclear receptor subfamily 1 group I member 2	agonist	Humans

Absorption

Low absorption in both the fasting state and when administered within 30 minutes of a high-fat breakfast.

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

In vitro drug interactions studies have shown that rifaximin, at concentrations ranging from 2 to 200 ng/mL, did not inhibit human hepatic cytochrome P450 isoenzymes: 1A2, 2A6, 2B6, 2C9, 2C19, 2D6, 2E1, and 3A4. In an in vitro hepa-tocyte induction model, rifaximin was shown to induce cytochrome P450 3A4 (CYP3A4), an isoenzyme which rifampin is known to induce.

Route of elimination

In a mass balance study, after administration of 400 mg 14C-rifaximin orally to healthy volunteers, of the 96.94% total recovery, 96.62% of the administered radioactivity was recovered in feces almost exclusively as the unchanged drug and 0.32% was recovered in urine mostly as metabolites with 0.03% as the unchanged drug.Rifaximin accounted for 18% of radioactivity in plasma. This suggests that the absorbed rifaximin undergoes metabolism with minimal renal excretion of the unchanged drug

Half-life

Approximately 6 hours.

Clearance

Not Available

Adverse Effects

Learn about our commercial Adverse Effects data.

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Toxicity

LD₅₀ > 2 g/kg (orally, in rats)

Affected organisms

• Enteric bacteria and other eubacteria

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions

This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
Unlock Additional Data
Abametapir	The serum concentration of Rifaximin can be increased when it is combined with Abametapir.
Abiraterone	The metabolism of Abiraterone can be increased when combined with Rifaximin.
Acalabrutinib	The metabolism of Acalabrutinib can be increased when combined with Rifaximin.
Acebutolol	The metabolism of Acebutolol can be increased when combined with Rifaximin.
Acenocoumarol	The metabolism of Acenocoumarol can be increased when combined with Rifaximin.
Afatinib	The serum concentration of Rifaximin can be increased when it is combined with Afatinib.
Albendazole	The metabolism of Albendazole can be increased when combined with Rifaximin.
Alectinib	The metabolism of Alectinib can be increased when combined with Rifaximin.
Almotriptan	The metabolism of Almotriptan can be increased when combined with Rifaximin.
Alpelisib	The serum concentration of Alpelisib can be decreased when it is combined with Rifaximin.

Additional Data Available

Extended Description
Extended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
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Severity
Severity
A severity rating for each drug interaction, from minor to major.
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Evidence Level
Evidence Level
A rating for the strength of the evidence supporting each drug interaction.
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Action
Action
An effect category for each drug interaction. Know how this interaction affects the subject drug.
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Food Interactions

• Take with or without food. Fatty meals may increase the systemic AUC of rifaximin, but do not impact Cmax. Rifaximin is an antibacterial used for local action in the gastrointestinal tract; therefore, changes in systemic exposure may not significantly impact efficacy.

Products

Product Images

International/Other Brands

Normix / Rifacol / Xifaxsan

Brand Name Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Unlock Additional Data
Xifaxan	Tablet	200 mg/1	Oral	Avera McKennan Hospital	2015-05-07	Not applicable
Xifaxan	Tablet	550 mg/1	Oral	Cardinal Health	2010-05-01	Not applicable
Xifaxan	Tablet	550 mg/1	Oral	Physicians Total Care, Inc.	2010-08-19	Not applicable
Xifaxan	Tablet	550 mg/1	Oral	Salix Pharmaceuticals, Inc	2004-07-25	2009-06-24
Xifaxan	Tablet	200 mg/1	Oral	Carilion Materials Management	2004-07-25	Not applicable
Xifaxan	Tablet	550 mg/1	Oral	Salix Pharmaceuticals, Inc.	2010-05-01	Not applicable
Xifaxan	Tablet	200 mg/1	Oral	Physicians Total Care, Inc.	2008-12-14	Not applicable
Xifaxan	Tablet	550 mg/1	Oral	Carton Service, Incorporated	2010-05-01	2017-07-13
Xifaxan	Tablet	200 mg/1	Oral	A-S Medication Solutions	2004-07-25	2018-02-06
Xifaxan	Tablet	200 mg/1	Oral	Dispensing Solutions, Inc.	2004-07-25	Not applicable

Additional Data Available

Application Number
Application Number
A unique ID assigned by the FDA when a product is submitted for approval by the labeller.
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Product Code
Product Code
A governmentally-recognized ID which uniquely identifies the product within its regulatory market.
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Categories

ATC Codes

A07AA11 — Rifaximin

• A07AA — Antibiotics
• A07A — INTESTINAL ANTIINFECTIVES
• A07 — ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
• A — ALIMENTARY TRACT AND METABOLISM

D06AX11 — Rifaximin

• D06AX — Other antibiotics for topical use
• D06A — ANTIBIOTICS FOR TOPICAL USE
• D06 — ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
• D — DERMATOLOGICALS

Drug Categories

• Alimentary Tract and Metabolism
• Amides
• Anti-Bacterial Agents
• Anti-Infective Agents
• Antibiotics for Topical Use
• Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents
• Cytochrome P-450 CYP2C19 Inducers
• Cytochrome P-450 CYP2C19 Inducers (strong)
• Cytochrome P-450 CYP2C8 Inducers
• Cytochrome P-450 CYP2C8 Inducers (strength unknown)
• Cytochrome P-450 CYP3A Inducers
• Cytochrome P-450 CYP3A Inducers (strong)
• Cytochrome P-450 CYP3A Substrates
• Cytochrome P-450 CYP3A4 Inducers
• Cytochrome P-450 CYP3A4 Inducers (strength unknown)
• Cytochrome P-450 CYP3A4 Inducers (strong)
• Cytochrome P-450 CYP3A4 Substrates
• Cytochrome P-450 Enzyme Inducers
• Cytochrome P-450 Substrates
• Dermatologicals
• Gastrointestinal Agents
• Heterocyclic Compounds, Fused-Ring
• Intestinal Antiinfectives
• Lactams
• Lactams, Macrocyclic
• Rifamycin Antibacterial
• Rifamycins

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Naphthofurans / Naphthols and derivatives / Benzimidazoles / Benzofurans / Coumarans / Imidazo[1,2-a]pyridines / Aryl alkyl ketones / Methylpyridines / Ketals / N-substituted imidazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Secondary alcohols / Carboxylic acid esters / Lactams / Polyols / Azacyclic compounds / Oxacyclic compounds / Dialkyl ethers / Monocarboxylic acids and derivatives / Organic oxides / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives

show 14 more

Substituents

1-naphthol / Acetal / Alcohol / Aromatic heteropolycyclic compound / Aryl alkyl ketone / Aryl ketone / Azacycle / Azole / Benzenoid / Benzimidazole / Benzofuran / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Carboxylic acid ester / Coumaran / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Imidazo[1,2-a]pyridine / Imidazole / Ketal / Ketone / Lactam / Macrolactam / Methylpyridine / Monocarboxylic acid or derivatives / N-substituted imidazole / Naphthalene / Naphthofuran / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organoheterocyclic compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Oxacycle / Polyol / Pyridine / Secondary alcohol / Secondary carboxylic acid amide

show 33 more

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

acetate ester, organic heterohexacyclic compound, lactam, semisynthetic derivative, macrocycle, cyclic ketal, rifamycin (CHEBI:75246)

Chemical Identifiers

UNII

L36O5T016N

CAS number

80621-81-4

InChI Key

NZCRJKRKKOLAOJ-XRCRFVBUSA-N

InChI

InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1

IUPAC Name

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.1⁴,⁷.0⁵,³⁵.0²⁶,³⁴.0²⁷,³²]heptatriaconta-1,3,5(35),9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate

SMILES

CO[[email protected]]1\C=C\O[[email protected]@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[[email protected]](C)[[email protected]](O)[[email protected]@H](C)[[email protected]@H](O)[[email protected]@H](C)[[email protected]](OC(C)=O)[[email protected]@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O

References

Synthesis Reference

Giuseppe Viscomi, Manuela Campana, Dario Braga, Donatella Confortini, Vincenzo Cannata, Paolo Righi, Goffredo Rosini, "Polymorphic forms of rifaximin, processes for their production and uses thereof." U.S. Patent US20050272754, issued December 08, 2005.

US20050272754

General References

1. Cottreau J, Baker SF, DuPont HL, Garey KW: Rifaximin: a nonsystemic rifamycin antibiotic for gastrointestinal infections. Expert Rev Anti Infect Ther. 2010 Jul;8(7):747-60. doi: 10.1586/eri.10.58. [PubMed:20586560]
2. Williams R, Bass N: Rifaximin, a nonabsorbed oral antibiotic, in the treatment of hepatic encephalopathy: antimicrobial activity, efficacy, and safety. Rev Gastroenterol Disord. 2005;5 Suppl 1:S10-8. [PubMed:15976747]
3. Koo HL, DuPont HL: Rifaximin: a unique gastrointestinal-selective antibiotic for enteric diseases. Curr Opin Gastroenterol. 2010 Jan;26(1):17-25. doi: 10.1097/MOG.0b013e328333dc8d. [PubMed:19881343]
4. Pakyz AL: Rifaximin: a new treatment for travelers' diarrhea. Ann Pharmacother. 2005 Feb;39(2):284-9. Epub 2004 Dec 14. [PubMed:15598963]
5. Jalan R: Rifaximin in hepatic encephalopathy: more than just a non-absorbable antibiotic? J Hepatol. 2010 Sep;53(3):580-2. doi: 10.1016/j.jhep.2010.05.002. Epub 2010 May 31. [PubMed:20561708]
6. Lawrence KR, Klee JA: Rifaximin for the treatment of hepatic encephalopathy. Pharmacotherapy. 2008 Aug;28(8):1019-32. doi: 10.1592/phco.28.8.1019. [PubMed:18657018]
7. Layer P, Andresen V: Review article: rifaximin, a minimally absorbed oral antibacterial, for the treatment of travellers' diarrhoea. Aliment Pharmacol Ther. 2010 Jun;31(11):1155-64. doi: 10.1111/j.1365-2036.2010.04296.x. Epub 2010 Mar 11. [PubMed:20331580]
8. Ojetti V, Lauritano EC, Barbaro F, Migneco A, Ainora ME, Fontana L, Gabrielli M, Gasbarrini A: Rifaximin pharmacology and clinical implications. Expert Opin Drug Metab Toxicol. 2009 Jun;5(6):675-82. doi: 10.1517/17425250902973695. [PubMed:19442033]
9. Scarpignato C, Pelosini I: Rifaximin, a poorly absorbed antibiotic: pharmacology and clinical potential. Chemotherapy. 2005;51 Suppl 1:36-66. [PubMed:15855748]
10. Gillis JC, Brogden RN: Rifaximin. A review of its antibacterial activity, pharmacokinetic properties and therapeutic potential in conditions mediated by gastrointestinal bacteria. Drugs. 1995 Mar;49(3):467-84. [PubMed:7774516]
11. Koo HL, Dupont HL, Huang DB: The role of rifaximin in the treatment and chemoprophylaxis of travelers' diarrhea. Ther Clin Risk Manag. 2009;5:841-8. Epub 2009 Nov 2. [PubMed:19898648]
12. DuPont HL: Systematic review: prevention of travellers' diarrhoea. Aliment Pharmacol Ther. 2008 May;27(9):741-51. doi: 10.1111/j.1365-2036.2008.03647.x. Epub 2008 Feb 14. [PubMed:18284650]
13. Romero-Gomez M: Pharmacotherapy of hepatic encephalopathy in cirrhosis. Expert Opin Pharmacother. 2010 Jun;11(8):1317-27. doi: 10.1517/14656561003724721. [PubMed:20384539]
14. Scarpignato C, Pelosini I: Experimental and clinical pharmacology of rifaximin, a gastrointestinal selective antibiotic. Digestion. 2006;73 Suppl 1:13-27. Epub 2006 Feb 8. [PubMed:16498249]
15. Pimentel M: Review of rifaximin as treatment for SIBO and IBS. Expert Opin Investig Drugs. 2009 Mar;18(3):349-58. doi: 10.1517/13543780902780175 . [PubMed:19243285]
16. Rifaximin Australian Public Assessment Report [File]

External Links

Human Metabolome Database

HMDB15351

KEGG Drug

D02554

PubChem Compound

6436173

PubChem Substance

46508705

ChemSpider

10482302

BindingDB

50347620

RxNav

35619

ChEBI

75246

ChEMBL

CHEMBL1617

ZINC

ZINC000169621200

Therapeutic Targets Database

DAP001006

PharmGKB

PA164752443

PDBe Ligand

RXM

RxList

RxList Drug Page

Drugs.com

Drugs.com Drug Page

PDRhealth

PDRhealth Drug Page

Wikipedia

Rifaximin

AHFS Codes

• 08:12.28.30 — Rifamycins

PDB Entries

6bee

FDA label

Download (478 KB)

MSDS

Download (58.4 KB)

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
4	Completed	Basic Science	Ascites / Liver Cirrhosis	1
4	Completed	Basic Science	Common Variable Immunodeficiency (CVID)	1
4	Completed	Basic Science	Hepatoencephalopathy, Early Fatal Progressive / Liver Cirrhosis	1
4	Completed	Prevention	Chronic Kidney Disease (CKD)	1
4	Completed	Prevention	Clostridium Difficile Infection (CDI)	1
4	Completed	Prevention	Hepatic Encephalopathy (HE)	1
4	Completed	Treatment	Diverticular disorders	1
4	Completed	Treatment	Hepatic Encephalopathy (HE) / Liver Cirrhosis	1
4	Completed	Treatment	Travelers' Diarrhea	1
4	Recruiting	Prevention	Hepatic Encephalopathy (HE) / Liver Cirrhosis / Liver Diseases / Pathological Processes / Portal Hypertension	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

• Diversified Healthcare Services Inc.
• Patheon Inc.
• Physicians Total Care Inc.
• Salix Pharmaceuticals

Dosage Forms

Form	Route	Strength
Tablet, film coated	Oral	200 mg
Granule, for suspension	Oral	200 mg/10ml
Tablet, film coated	Oral	400 mg
Tablet, film coated		200 mg
Tablet, coated	Oral	550 mg
Suspension	Oral	2 g
Tablet, film coated		550 mg
Capsule, liquid filled	Oral	550 mg
Capsule, liquid filled	Oral	200 mg
Granule, for suspension	Oral	2 G/100ML
Tablet		100 MG
Tablet, film coated	Oral	550 mg
Solution / drops	Oral	5 %
Tablet, coated	Oral	400 mg
Powder, for suspension	Oral	2 g
Tablet, coated	Oral	200 mg
Tablet	Oral	200 mg/1
Tablet	Oral	550 mg/1
Tablet	Oral

Prices

Unit description	Cost	Unit
Xifaxan 550 mg tablet	22.4USD	tablet
Xifaxan 200 mg tablet	8.97USD	tablet

DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.

Patents

Patent Number	Pediatric Extension	Approved	Expires (estimated)	Region
Unlock Additional Data
US7928115	No	2011-04-19	2029-07-24
US8741904	No	2014-06-03	2026-02-27
US7612199	No	2009-11-03	2024-06-19
US8853231	No	2014-10-07	2024-06-19
US8158644	No	2012-04-17	2024-06-19
US8193196	No	2012-06-05	2027-09-02
US7906542	No	2011-03-15	2025-06-01
US8158781	No	2012-04-17	2024-06-19
US7045620	No	2006-05-16	2024-06-19
US8518949	No	2013-08-27	2026-02-27
US8835452	No	2014-09-16	2024-06-19
US7902206	No	2011-03-08	2024-06-19
US8829017	No	2014-09-09	2029-07-24
US8642573	No	2014-02-04	2029-10-02
US8969398	No	2015-03-03	2029-10-02
US8946252	No	2015-02-03	2029-07-24
US7915275	No	2011-03-29	2025-02-23
US8309569	No	2012-11-13	2029-07-18
US7718608	No	2010-05-18	2019-08-11
US7452857	No	2008-11-18	2019-08-11
US6861053	No	2005-03-01	2019-08-11
US7605240	No	2009-10-20	2019-08-11
US7935799	No	2011-05-03	2019-08-11
US9271968	No	2016-03-01	2026-02-27
US9421195	No	2016-08-23	2030-03-10
US9629828	No	2017-04-25	2029-07-24
US10314828	No	2019-06-11	2029-10-02
US10335397	No	2019-07-02	2029-10-02
US10456384	No	2019-10-29	2029-02-26
US10709694	No	2009-07-24	2029-07-24
US10703763	No	2006-02-27	2026-02-27

Additional Data Available

Filed On
Filed On
The date on which a patent was filed with the relevant government.
Learn more

Properties

State

Solid

Experimental Properties

Property	Value	Source
logP	2.6	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.00738 mg/mL	ALOGPS
logP	4.94	ALOGPS
logP	4.37	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	3.66	ChemAxon
pKa (Strongest Basic)	11.87	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	198.38 Å2	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	216.69 m3·mol-1	ChemAxon
Polarizability	82.26 Å3	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	0	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	-	0.646
Blood Brain Barrier	-	0.973
Caco-2 permeable	-	0.6301
P-glycoprotein substrate	Substrate	0.6681
P-glycoprotein inhibitor I	Non-inhibitor	0.6985
P-glycoprotein inhibitor II	Non-inhibitor	0.7134
Renal organic cation transporter	Non-inhibitor	0.9533
CYP450 2C9 substrate	Non-substrate	0.8256
CYP450 2D6 substrate	Non-substrate	0.8783
CYP450 3A4 substrate	Substrate	0.5651
CYP450 1A2 substrate	Non-inhibitor	0.7129
CYP450 2C9 inhibitor	Non-inhibitor	0.7393
CYP450 2D6 inhibitor	Non-inhibitor	0.875
CYP450 2C19 inhibitor	Non-inhibitor	0.7684
CYP450 3A4 inhibitor	Non-inhibitor	0.8904
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.7729
Ames test	Non AMES toxic	0.6276
Carcinogenicity	Non-carcinogens	0.9055
Biodegradation	Not ready biodegradable	1.0
Rat acute toxicity	2.6259 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.994
hERG inhibition (predictor II)	Non-inhibitor	0.721

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available

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Drug created on June 13, 2005 07:24 / Updated on October 25, 2020 09:16