Basic information
- CAS
1476-46-6- Standard SMILES
N[C@H](CCCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12)C(=O)O- InChIKey
XWCFYHBHOFBVIV-JWKOBGCHSA-N- Molecular formula
- C14H19N3O7S
- Average molar mass
- 373.38 g/mol
- Monoisotopic mass
- 373.09437095
Overview
Deacetylcephalosporin C is a 3-hydroxymethylcephalosporin having a (5-amino-5-carboxypentanoyl)amino group at the 7-position. It is a conjugate acid of a deacetylcephalosporin C(1-).
Names & identifiers
- Preferred name
- Deacetylcephalosporin C
- IUPAC
- (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- deacetylcephalosporin C
- Molecular formula
- C14H19N3O7S
- Molecular weight
- 373.38
Names & synonyms
Deacetylcephalosporin C1476-46-6CHEBI:18065(6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(((5R)-5-amino-5-carboxypentanoyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:1310805-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-(hydroxymethyl)-8-oxo, (6R-(6 alpha,7 beta(R*)))-(6R,7R)-7-((R)-5-amino-5-carboxypentanamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid1476-46-6 (free acid)Epitope ID:2060756SCHEMBL11534966
Show more names
WS-3442EAntibiotic WS-3442EDeacetylated impurityCefmenoxime Impurity 37Desacetylcephalosporin CCephalosporin Impurity 2Cefathiamidine Impurity 23
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 636
Chemistry & industry
Applications
DescriptionDeacetylcephalosporin C is antibiotic and a substrate for deacetylcephalosporin-C acetyltransferase (EC 2.3.1.175).
Upstream & downstream products
Downstream products
Suppliers13 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Related reactions
2 records
Compound notes
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