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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-(((1-acetyl-2-pyrrolidinyl)carbonyl)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: 76945-46-5
InChIKey: PSVJZFUEIXRZHM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H35-N6-O9-S.Na

Molecular Weight

  • 738.7505
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-(((1-acetyl-2-pyrrolidinyl)carbonyl)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

  • 76945-46-5

System Generated Number

  • 0076945465

Molecular Formulas

Molecular Formula

  • C35-H35-N6-O9-S.Na

Molecular Formula Fragments

  • C35-H35-N6-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H36N6O9S.Na/c1-17(42)40-16-4-5-24(40)30(46)36-20-10-6-18(7-11-20)23-15-14-22(28(44)37-23)29(45)38-25(19-8-12-21(43)13-9-19)31(47)39-26-32(48)41-27(34(49)50)35(2,3)51-33(26)41;/h6-15,24-27,33,43H,4-5,16H2,1-3H3,(H,36,46)(H,37,44)(H,38,45)(H,39,47)(H,49,50);/q;+1/p-1

InChIKey

PSVJZFUEIXRZHM-UHFFFAOYSA-M

Smiles

CC(=O)N1CCCC1C(=O)Nc2ccc(cc2)c3ccc(c(=O)[nH]3)C(=O)NC(c4ccc(cc4)O)C(=O)NC5C6N(C5=O)C(C(S6)(C)C)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2200mg/kg (2200mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 862, 1981.