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Substance Name: 1,5-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-4-oxo-, methyl ester
RN: 86628-26-4
InChIKey: CWFCFMFPXZUQKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O3-S

Molecular Weight

  • 251.3047
 
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Names and Synonyms

Synonyms

  • BRN 4485817
  • Methyl 2,3,4,5-tetrahydro-5-oxo-1,4-benzothiazepine-2-acetate
  • Methyl 2,3-dihydro-1,5-benzothiazepin-5(4H)-one-2-acetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86628-26-4

System Generated Number

  • 0086628264

Structure Descriptors

InChI

1S/C12H13NO3S/c1-16-12(15)7-8-6-11(14)13-9-4-2-3-5-10(9)17-8/h2-5,8H,6-7H2,1H3,(H,13,14)

InChIKey

CWFCFMFPXZUQKT-UHFFFAOYSA-N

Smiles

COC(=O)CC1CC(=O)Nc2ccccc2S1

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.