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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-(((1-acetyl-4-hydroxy-2-pyrrolidinyl)carbonyl)amino)phenyl)-1,2-dihydro-2-oxo-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*(2R*,4S*))))-, trihydrate
RN: 76899-83-7
InChIKey: PFJBOIGDJWZLMK-XKEDLWHXSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H35-N6-O10-S.Na.3H2-O

Molecular Weight

  • 754.7495
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-(((1-acetyl-4-hydroxy-2-pyrrolidinyl)carbonyl)amino)phenyl)-1,2-dihydro-2-oxo-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*(2R*,4S*))))-, trihydrate

Registry Numbers

CAS Registry Number

  • 76899-83-7

System Generated Number

  • 0076899837

Molecular Formulas

Molecular Formula

  • C35-H35-N6-O10-S.Na.3H2-O

Molecular Formula Fragments

  • C35-H35-N6-O10-S
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C35H36N6O10S.Na/c1-16(42)40-15-21(44)14-24(40)30(47)36-19-8-4-17(5-9-19)23-13-12-22(28(45)37-23)29(46)38-25(18-6-10-20(43)11-7-18)31(48)39-26-32(49)41-27(34(50)51)35(2,3)52-33(26)41;/h4-13,21,24-27,33,43-44H,14-15H2,1-3H3,(H,36,47)(H,37,45)(H,38,46)(H,39,48)(H,50,51);/q;+1/p-1/t21-,24?,25?,26-,27+,33+;/m1./s1

InChIKey

PFJBOIGDJWZLMK-XKEDLWHXSA-M

Smiles

CC(=O)N1C[C@@H](CC1C(=O)Nc2ccc(cc2)c3ccc(c(=O)[nH]3)C(=O)NC(c4ccc(cc4)O)C(=O)N[C@H]5[C@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)[O-])O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 1157, 1981.