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Substance Name: 1,4-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester
RN: 86628-25-3
InChIKey: WGWDMWMMPHPDBF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N-O3-S

Molecular Weight

  • 265.3315
 
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Names and Synonyms

Synonym

  • Methyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-1,4-benzothiazepine-2-acetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86628-25-3

System Generated Number

  • 0086628253

Structure Descriptors

InChI

1S/C13H15NO3S/c1-8-3-4-11-10(5-8)13(16)14-7-9(18-11)6-12(15)17-2/h3-5,9H,6-7H2,1-2H3,(H,14,16)

InChIKey

WGWDMWMMPHPDBF-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)C(=O)NCC(S2)CC(=O)OC

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.