Razupenem

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Razupenem
DrugBank Accession Number
DB12587
Background

Razupenem has been used in trials studying the treatment of Skin Infections.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 407.5
Monoisotopic: 407.097348516
Chemical Formula
C18H21N3O4S2
Synonyms
  • Razupenem
External IDs
  • PZ-601
  • SM-216601
  • SMP-601

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

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
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Lactams
Sub Class
Beta lactams
Direct Parent
Carbapenems
Alternative Parents
Alpha amino acids and derivatives / Aryl thioethers / Pyrroline carboxylic acids / 2,4-disubstituted thiazoles / Azepines / Vinylogous thioesters / Tertiary carboxylic acid amides / Heteroaromatic compounds / Thioenol ethers / Azetidines
show 10 more
Substituents
2,4-disubstituted 1,3-thiazole / Alcohol / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Azepine
show 27 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
26020H3Q1L
CAS number
426253-04-5
InChI Key
XFGOMLIRJYURLQ-GOKYHWASSA-N
InChI
InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1
IUPAC Name
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-({4-[(5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-2-yl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILES
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3=NC(=CS3)C3=C[C@H](C)NC3)=C(N2C1=O)C(O)=O

References

General References
Not Available
PubChem Compound
10993211
PubChem Substance
347828807
ChemSpider
9168406
ChEMBL
CHEMBL1256722
ZINC
ZINC000003986713
Wikipedia
Razupenem

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSkin Infections1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0412 mg/mLALOGPS
logP0.65ALOGPS
logP-1.8Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)3.08Chemaxon
pKa (Strongest Basic)9.81Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area102.76 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity104.99 m3·mol-1Chemaxon
Polarizability42.17 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0002900000-40237583667df091c098
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-0108900000-78be1c0c1a22cb50fffd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0101900000-5c9beb6551829bc02487
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-0239000000-c0a9e524d82e3b55b64e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0cds-3976200000-d57b4cd47db3ab25eb9a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00n0-2953000000-c5dc353bd44cad7c2455
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.05008
predicted
DeepCCS 1.0 (2019)
[M+H]+195.44563
predicted
DeepCCS 1.0 (2019)
[M+Na]+201.35817
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:02 / Updated at February 21, 2021 18:53