Cephapirin Benzathine - PharmPure™, USP , CAS No.97468-37-6

CAS: 97468-37-6 Cat. No.: C348071 Molecular Weight: 1087.27 EC Number: 619-270-1 PubChem CID: 167441

GRADE & PURITY PharmPure™, USP

Synonyms

AKOS032944865 | ToMORROW intramammary infusion | CEPHAPIRIN BENZATHINE [USP MONOGRAPH] | Cephapirin benzathine [USP] | s4875 | Cefapirinbenzathine | CEPHAPIRIN BENZATHINE (USP MONOGRAPH) | CEPHAPIRIN BENZATHINE [GREEN BOOK] | Cefapirin benzathine | Cefa-D

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS032944865 | ToMORROW intramammary infusion | CEPHAPIRIN BENZATHINE [USP MONOGRAPH] | Cephapirin benzathine [USP] | s4875 | Cefapirinbenzathine | CEPHAPIRIN BENZATHINE (USP MONOGRAPH) | CEPHAPIRIN BENZATHINE [GREEN BOOK] | Cefapirin benzathine | Cefa-D

Specifications & Purity

PharmPure™, USP

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

PharmPure™, USP

Names and Identifiers

• Pubchem Sid: 504757600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757600
• Canonical Smiles: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine
• InChIKey: JAHKOXGROZNHHG-RACYMRPCSA-N
• INCHI: 1S/2C17H17N3O6S2.C16H20N2/c2*1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t2*13-,16-;/m11./s1
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• PubChem CID: 167441
• Molecular Weight: 1087.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Dicarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Dicarboxylic acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 166-170° C (dec.)
• Molecular Weight: 1087.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 23
• Exact Mass: 1086.27 Da
• Monoisotopic Mass: 1086.27 Da
• Topological Polar Surface Area: 377.000 Ų
• Heavy Atom Count: 74
• Formal Charge: 0
• Complexity: 878.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3