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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-((2-(acetylamino)-5-amino-1,5-dioxopentyl)amino)phenyl)-1,2-dihydro-2-oxo-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium slat, (2S-(2-alpha,5-alpha,6-beta(S*(R*))))-
RN: 76899-80-4
InChIKey: DWCQKXYQGOOMOF-CFUMSTTISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H36-N7-O10-S.Na

Molecular Weight

  • 769.7644
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 76899-80-4

System Generated Number

  • 0076899804

Molecular Formulas

Molecular Formula

  • C35-H36-N7-O10-S.Na

Molecular Formula Fragments

  • C35-H36-N7-O10-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H37N7O10S.Na/c1-16(43)37-23(14-15-24(36)45)30(48)38-19-8-4-17(5-9-19)22-13-12-21(28(46)39-22)29(47)40-25(18-6-10-20(44)11-7-18)31(49)41-26-32(50)42-27(34(51)52)35(2,3)53-33(26)42;/h4-13,23,25-27,33,44H,14-15H2,1-3H3,(H2,36,45)(H,37,43)(H,38,48)(H,39,46)(H,40,47)(H,41,49)(H,51,52);/q;+1/p-1/t23?,25?,26-,27+,33+;/m1./s1

InChIKey

DWCQKXYQGOOMOF-CFUMSTTISA-M

Smiles

CC(=O)NC(CCC(=O)N)C(=O)Nc1ccc(cc1)c2ccc(c(=O)[nH]2)C(=O)NC(c3ccc(cc3)O)C(=O)N[C@H]4[C@H]5N(C4=O)[C@H](C(S5)(C)C)C(=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. 862, 1981.