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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,4-dihydro-6-methyl-4-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: 96593-45-2
InChIKey: VWNSVIIEEOTMEF-MAYLFKIMSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-N4-O7-S.Na

Molecular Weight

  • 522.5117
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,4-dihydro-6-methyl-4-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

  • 96593-45-2

System Generated Number

  • 0096593452

Molecular Formulas

Molecular Formula

  • C23-H24-N4-O7-S.Na

Molecular Formula Fragments

  • C23-H24-N4-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H24N4O7S.Na/c1-10-8-14(29)13(9-24-10)18(30)25-15(11-4-6-12(28)7-5-11)19(31)26-16-20(32)27-17(22(33)34)23(2,3)35-21(16)27;/h4-9,15-17,21,28H,1-3H3,(H,24,29)(H,25,30)(H,26,31)(H,33,34);/q;+1/p-1/t15?,16-,17-,21-;/m0./s1

InChIKey

VWNSVIIEEOTMEF-MAYLFKIMSA-M

Smiles

N12[C@H]([C@H](C1=O)NC(=O)C(NC(=O)c1c(=O)cc([nH]c1)C)c1ccc(cc1)O)SC([C@@H]2C(=O)[O-])(C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 372, 1985.