Razupenem
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 10993211
- PubChem Substance
- 347828807
- ChemSpider
- 9168406
- ChEMBL
- CHEMBL1256722
- ZINC
- ZINC000003986713
- Wikipedia
- Razupenem
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Skin Infections 1
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
Property Value Source Water Solubility 0.0412 mg/mL ALOGPS logP 0.65 ALOGPS logP -1.8 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 3.08 Chemaxon pKa (Strongest Basic) 9.81 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 102.76 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 104.99 m3·mol-1 Chemaxon Polarizability 42.17 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0002900000-40237583667df091c098 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-0108900000-78be1c0c1a22cb50fffd Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0101900000-5c9beb6551829bc02487 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ox-0239000000-c0a9e524d82e3b55b64e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0cds-3976200000-d57b4cd47db3ab25eb9a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00n0-2953000000-c5dc353bd44cad7c2455 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 193.05008 predictedDeepCCS 1.0 (2019) [M+H]+ 195.44563 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.35817 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:02 / Updated at February 21, 2021 18:53