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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(3-bromophenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, monosodium salt, (6R-trans)-
RN: 143407-74-3
InChIKey: FVINXAYFQRVTCA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Br-N2-O4-S.Na

Molecular Weight

  • 487.348
 
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Names and Synonyms

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((1-(3-bromophenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, monosodium salt, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 143407-74-3

System Generated Number

  • 0143407743

Molecular Formulas

Molecular Formula

  • C20-H20-Br-N2-O4-S.Na

Molecular Formula Fragments

  • C20-H20-Br-N2-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H21BrN2O4S.Na/c1-11-10-28-17-14(16(24)23(17)15(11)18(25)26)22-19(27)20(7-2-3-8-20)12-5-4-6-13(21)9-12;/h4-6,9,14,17H,2-3,7-8,10H2,1H3,(H,22,27)(H,25,26);/q;+1/p-1

InChIKey

FVINXAYFQRVTCA-UHFFFAOYSA-M

Smiles

CC1=C(N2C(C(C2=O)NC(=O)C3(CCCC3)c4cccc(c4)Br)SC1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 169, 1992.