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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1-(3-chlorophenyl)cyclopentyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta))-
RN: 143407-68-5
InChIKey: VNYIGTWTEVCJCO-CFDZSLPFSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O4-S.Na

Molecular Weight

  • 444.9128
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1-(3-chlorophenyl)cyclopentyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 143407-68-5

System Generated Number

  • 0143407685

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O4-S.Na

Molecular Formula Fragments

  • C20-H23-Cl-N2-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H23ClN2O4S.Na/c1-19(2)14(17(25)26)23-15(24)13(16(23)28-19)22-18(27)20(8-3-4-9-20)11-6-5-7-12(21)10-11;/h5-7,10,13-14,16H,3-4,8-9H2,1-2H3,(H,22,27)(H,25,26);/q;+1/p-1/t13-,14+,16-;/m1./s1

InChIKey

VNYIGTWTEVCJCO-CFDZSLPFSA-M

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCC3)c4cccc(c4)Cl)C(=O)[O-])C.[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.