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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-((2-((aminocarbonyl)amino)-1-oxopropyl)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*(R*))))-
RN: 76899-42-8
InChIKey: SMZQDVIGEFTBDS-BTGOZHFESA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H32-N7-O9-S.Na

Molecular Weight

  • 713.7008
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-((2-((aminocarbonyl)amino)-1-oxopropyl)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*(R*))))-

Registry Numbers

CAS Registry Number

  • 76899-42-8

System Generated Number

  • 0076899428

Molecular Formulas

Molecular Formula

  • C32-H32-N7-O9-S.Na

Molecular Formula Fragments

  • C32-H32-N7-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H33N7O9S.Na/c1-14(34-31(33)48)24(41)35-17-8-4-15(5-9-17)20-13-12-19(25(42)36-20)26(43)37-21(16-6-10-18(40)11-7-16)27(44)38-22-28(45)39-23(30(46)47)32(2,3)49-29(22)39;/h4-14,21-23,29,40H,1-3H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)(H,46,47)(H3,33,34,48);/q;+1/p-1/t14?,21?,22-,23+,29-;/m1./s1

InChIKey

SMZQDVIGEFTBDS-BTGOZHFESA-M

Smiles

CC(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-])NC(=O)N.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1600mg/kg (1600mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 862, 1981.