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Substance Name: Benzeneacetic acid, alpha-phenyl-, 2-(tetrahydro-1,4-thiazepin-4(5H)-2-yl)ethyl ester
RN: 87565-58-0
InChIKey: KKGGKOREWUGDQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O2-S

Molecular Weight

  • 353.4837
 
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Names and Synonyms

Synonyms

  • 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate
  • 2-(Tetrahydro-1,4-thiazepin-4(5H)-2-yl)ethyl alph a-phenylbenzeneacetate

Systematic Name

  • Benzeneacetic acid, alpha-phenyl-, 2-(tetrahydro-1,4-thiazepin-4(5H)-2-yl)ethyl ester

Registry Numbers

CAS Registry Number

  • 87565-58-0

System Generated Number

  • 0087565580

Structure Descriptors

InChI

1S/C21H23NO2S/c23-21(24-15-13-22-12-7-16-25-17-14-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-11,16,20H,12-15,17H2

InChIKey

KKGGKOREWUGDQB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)C(=O)OCCN3CCSC=CC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 4400mg/kg (4400mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 63, 1983.