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Substance Name: 1,4-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-7-chloro-5-oxo-, methyl ester
RN: 86628-24-2
InChIKey: AEWHSKXJTFOWBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-Cl-N-O3-S

Molecular Weight

  • 285.7498
 
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Names and Synonyms

Synonyms

  • BRN 4501131
  • Methyl 2,3,4,5-tetrahydro-7-chloro-5-oxo-1,4-benzothiazepine-2-acetate

Systematic Name

  • 1,4-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-7-chloro-5-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 86628-24-2

System Generated Number

  • 0086628242

Structure Descriptors

InChI

1S/C12H12ClNO3S/c1-17-11(15)5-8-6-14-12(16)9-4-7(13)2-3-10(9)18-8/h2-4,8H,5-6H2,1H3,(H,14,16)

InChIKey

AEWHSKXJTFOWBS-UHFFFAOYSA-N

Smiles

COC(=O)CC1CNC(=O)c2cc(ccc2S1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 300, 1983.