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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-((4-(acetylamino)-1-oxobutyl)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*)))-
RN: 76880-59-6
InChIKey: OQLUNYNXQPOQHS-YUKZBZGNSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H35-N6-O9-S.Na

Molecular Weight

  • 726.7395
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-((4-(acetylamino)-1-oxobutyl)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*)))-

Registry Numbers

CAS Registry Number

  • 76880-59-6

System Generated Number

  • 0076880596

Molecular Formulas

Molecular Formula

  • C34-H35-N6-O9-S.Na

Molecular Formula Fragments

  • C34-H35-N6-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H36N6O9S.Na/c1-17(41)35-16-4-5-24(43)36-20-10-6-18(7-11-20)23-15-14-22(28(44)37-23)29(45)38-25(19-8-12-21(42)13-9-19)30(46)39-26-31(47)40-27(33(48)49)34(2,3)50-32(26)40;/h6-15,25-27,32,42H,4-5,16H2,1-3H3,(H,35,41)(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H,48,49);/q;+1/p-1/t25?,26-,27+,32-;/m1./s1

InChIKey

OQLUNYNXQPOQHS-YUKZBZGNSA-M

Smiles

CC(=O)NCCCC(=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.