Chemical Compound

Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy- 1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1- azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4- dihydroxybenzoyl)amino)ethyl)-, 4-methylbenzenesulfonate sulfate, 4-methylbenzenesulfonate, hydrate (3:1:1:3:?)

CAS Registry Number 2135543-94-9
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Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy- 1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1- azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4- dihydroxybenzoyl)amino)ethyl)-, 4-methylbenzenesulfonate sulfate, 4-methylbenzenesulfonate, hydrate (3:1:1:3:?) 结构式
Primary record

Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy- 1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1- azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4- dihydroxybenzoyl)amino)ethyl)-, 4-methylbenzenesulfonate sulfate, 4-methylbenzenesulfonate, hydrate (3:1:1:3:?)

库存
9,744 克
纯度
99.5 %
CAS
2135543-94-9

化合物标识与属性

CAS
2135543-94-9
PubChem CID
131839616
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(O/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[N+]3(CCCC3)CCNC(=O)C4=C(C(=C(C=C4)O)O)Cl)/C5=CSC(=N5)N)(C(=O)O)C.CC(O/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[N+]3(CCCC3)CCNC(=O)C4=C(C(=C(C=C4)O)O)Cl)/C5=CSC(=N5)N)(C(=O)O)C.CC(O/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[N+]3(CCCC3)CCNC(=O)C4=C(C(=C(C=C4)O)O)Cl)/C5=CSC(=N5)N)(C(=O)O)C.O.[O-]S(=O)(=O)[O-]
Canonical SMILES
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O.O=S(=O)([O-])[O-]

名称与同义词

  • Cefiderocol sulfate tosylate
  • TTP8LBP45D
  • RefChem:57276
  • UNII-TTP8LBP45D
  • Cefiderocol sulfate tosilate
  • 2V3QJ9TGE5
  • GSK2696266D
  • CHEMBL4297211
  • GSK-2696266D
  • DTXCID001513226
  • DTXSID401027645
  • Cefiderocol sulfate tosylate [USAN]
  • S-649266D
  • CEFIDEROCOL TOSILATE SULFATE HYDRATE
  • 2135543-94-9
  • 1-(((6R,7R)-7-((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-(2-chloro-3,4-dihydroxybenzamido)ethyl)pyrrolidin-1-ium 4-methylbenzenesulfonate, 4-methylbenzenesulfonic acid, sulfate, hydrate (3:1:1:3:?)
  • Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy- 1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1- azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4- dihydroxybenzoyl)amino)ethyl)-, 4-methylbenzenesulfonate sulfate, 4-methylbenzenesulfonate, hydrate (3:1:1:3:?)