Basic information
- CAS
62893-19-0- Standard SMILES
CCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O- InChIKey
GCFBRXLSHGKWDP-WTKTZPJXSA-N- Molecular formula
- C25H27N9O8S2
- Average molar mass
- 645.7 g/mol
- Monoisotopic mass
- 645.1424012
Overview
(6R,7R)-7-[(2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a peptide.
Names & identifiers
- Preferred name
- (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- Cefoperazone Impurity 18
- Molecular formula
- C25H27N9O8S2
- Molecular weight
- 645.67
Names & synonyms
68779-10-2Cefoperazonum [INN-Latin]Cefoperazono [INN-Spanish]Cefoperazone Impurity N11SCHEMBL16091123CHEBI:184853AKOS015895665(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido)-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-[(2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 271 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,250
Experimental & physicochemical properties
LogP-0.74
Solubility2.86e-01 g/L
Melting Point167 - 171 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers16 total
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
心邀（深圳）生物科技有限公司0755-89880280 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Related reactions
0 records
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Compound notes
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