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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,2-dihydro-2-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*)))-
RN: 96593-32-7
InChIKey: LDRHKHLFSGWVQV-AEXMPBAPSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-N5-O7-S.Na

Molecular Weight

  • 611.6084
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,2-dihydro-2-oxo-6-(2-(3-pyridinyl)ethenyl)-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

  • 96593-32-7

System Generated Number

  • 0096593327

Molecular Formulas

Molecular Formula

  • C29-H26-N5-O7-S.Na

Molecular Formula Fragments

  • C29-H26-N5-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H27N5O7S.Na/c1-29(2)22(28(40)41)34-26(39)21(27(34)42-29)33-25(38)20(16-6-10-18(35)11-7-16)32-24(37)19-12-9-17(31-23(19)36)8-5-15-4-3-13-30-14-15;/h3-14,20-22,27,35H,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,40,41);/q;+1/p-1/b8-5+;/t20-,21+,22-,27+;/m0./s1

InChIKey

LDRHKHLFSGWVQV-AEXMPBAPSA-M

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccc(cc3)O)NC(=O)c4ccc([nH]c4=O)/C=C/c5cccnc5)C(=O)[O-])C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1100mg/kg (1100mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 372, 1985.