Pipazethate

Identification

Generic Name
Pipazethate
DrugBank Accession Number
DB08796
Background

A non-narcotic oral antitussive agent.

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 399.507
Monoisotopic: 399.161662371
Chemical Formula
C21H25N3O3S
Synonyms
  • Pipazetate
  • Pipazetato
  • Pipazetatum
  • Pipazethate
External IDs
  • D-254
  • SK&F 70230-A
  • SKF 70230 A
  • SQ 15,874
  • SQ 15874

Pharmacology

Indication

For the treatment of cough.

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Antitussive agents act centrally on the medullary cough center.

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Medicalerrors
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Toxicity

Not Available

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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Theratuss (Bristol-Myers Squibb)

Categories

ATC Codes
R05DB11 — Pipazetate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
Kingdom
Organic compounds
Super Class
Organosulfur compounds
Class
Thioethers
Sub Class
Aryl thioethers
Direct Parent
Diarylthioethers
Alternative Parents
Benzothiazines / Pyridines and derivatives / Piperidines / 1,4-thiazines / Imidolactams / Benzenoids / Heteroaromatic compounds / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives
show 6 more
Substituents
Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzothiazine / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Dialkyl ether / Diarylthioether
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
M5EK1T5V2L
CAS number
2167-85-3
InChI Key
DTVJXCOMJLLMAK-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2
IUPAC Name
2-[2-(piperidin-1-yl)ethoxy]ethyl 9-thia-2,4-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(14),3(8),4,6,10,12-hexaene-2-carboxylate
SMILES
O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2

References

General References
Not Available
Human Metabolome Database
HMDB0015686
KEGG Drug
D05484
PubChem Compound
22425
PubChem Substance
99445266
ChemSpider
21046
RxNav
33740
ChEBI
135635
ChEMBL
CHEMBL2104900
ZINC
ZINC000001698105
PharmGKB
PA165958415
Wikipedia
Pipazetate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Pill
Solution / dropsOral
Suppository
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0415 mg/mLALOGPS
logP3.4ALOGPS
logP3.77ChemAxon
logS-4ALOGPS
pKa (Strongest Basic)8.96ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area54.9 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity111.43 m3·mol-1ChemAxon
Polarizability42.86 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9935
Blood Brain Barrier+0.9889
Caco-2 permeable-0.5763
P-glycoprotein substrateSubstrate0.565
P-glycoprotein inhibitor IInhibitor0.8319
P-glycoprotein inhibitor IIInhibitor0.7211
Renal organic cation transporterNon-inhibitor0.6347
CYP450 2C9 substrateNon-substrate0.7316
CYP450 2D6 substrateNon-substrate0.6871
CYP450 3A4 substrateNon-substrate0.5906
CYP450 1A2 substrateInhibitor0.6103
CYP450 2C9 inhibitorInhibitor0.7532
CYP450 2D6 inhibitorNon-inhibitor0.8866
CYP450 2C19 inhibitorInhibitor0.6909
CYP450 3A4 inhibitorInhibitor0.6127
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.9385
Ames testNon AMES toxic0.7007
CarcinogenicityNon-carcinogens0.9406
BiodegradationNot ready biodegradable0.9886
Rat acute toxicity2.8837 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9363
hERG inhibition (predictor II)Inhibitor0.69
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 08, 2010 22:04 / Updated on February 21, 2021 18:52