Cephalosporine

HCID 2669

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Basic information

CAS: 59143-60-1
Standard SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1
InChIKey: HOKIDJSKDBPKTQ-UHFFFAOYSA-N
Molecular formula: C16H21N3O8S
Average molar mass: 415.4 g/mol
Monoisotopic mass: 415.10493581

Overview

Cephalosporin C has been reported in Acremonium chrysogenum with data available.

Names & identifiers

Preferred name: Cephalosporine
IUPAC: 3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
English name: CEPHALOSPORIN C ZINC SALT
Molecular formula: C16H21N3O8S.Zn
Molecular weight: 480.82

Names & synonyms

Cephalosporine3-(Acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-(acetyloxymethyl)-7-((5-amino-5-carboxypentanoyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:1081337CHEMBL1624196HOKIDJSKDBPKTQ-UHFFFAOYSA-NNS0007915259143-60-1Einecs 261-624-9Cephalosporin C (zinc)CEPHALOSPORIN C ZINC SALTCEPHALOSPORIN C ZINC SALT USP/EP/BP

Show more names

Cephalosporin C zinc salt, 10 mM in DMSOInhibitor,Orthopoxvirus,Cephalosporin C zinc salt,Bacterial,inhibit,Cephalosporin C,AntibioticZinc (6R,7R)-7-[[(5R)-5-Amino-5-carboxylatopentanoyl]amino]-8-oxo-3-(2-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateZinc(II) (6R,7R)-3-(acetoxymethyl)-7-((R)-5-amino-5-carboxylatopentanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R,7R)-3-[(Acetyloxy)Methyl]-7-[[(5R)-5-aMino-5-carboxy-1-oxopentyl]aMino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Zinc Saltzinc [6R-[6alpha,7beta(R*)]]-3-(acetoxymethyl)-7-[(5-amino-5-carboxylato-1-oxopentyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Database identifiers

CAS: 59143-60-1
PubChem CID: 2669
ChEMBL: CHEMBL1624196
EC Number: 261-624-9

Properties

Computed structural properties

XLogP: -4.4
Topological polar surface area: 202 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 10
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 737

Physicochemical properties

Melting point: 240 · 240-242°C
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Aqueous Acid (Slightly)
form: A crystalline solid
color: White to off-white
InChIKey: MGNGNKZZUPFEAN-UHOOTGLWNA-N
SMILES: C(C1=C(CS[C@]2([H])[C@@H](C(N21)=O)NC(=O)CCC[C@@H](N)C(=O)O)COC(=O)C)(=O)O.[Zn] |&1:5,7,17,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard Codes: Xn
Risk Statements: 42 · 42/43
Safety Statements: 22 · 22-45
WGK Germany: 3 · 3
F: 8 · 8

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

F: 8
wgk: 3
risk_code: 42/43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-45
Hazard statements: H317
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Applications

UsesCEPHALOSPORIN C ZINC SALT is an antibiottic used to study the effect of transpeptidase expression, binding, and inhibition on bacterial cell wall mucopeptide synthesis.

UsesCephalosporin C Zinc Salt is a derivative of Cephalosporin C. It is useful research chemical used for the discovery of antibiotic, penicillin

Suppliers63 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

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Compound notes

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