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Substance Name: L-Alanine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, ethyl ester, hydrochloride
RN: 117125-41-4
InChIKey: GBMRVLWVAULLIJ-UIHYYSMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N-O2-S.Cl-H

Molecular Weight

  • 363.9068
 
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Names and Synonyms

Synonym

  • Ethyl 2-(6,11-dihydrodibenzo(b,e)thiepin-11-ylamino)propionate hydrochloride

Systematic Name

  • L-Alanine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 117125-41-4

System Generated Number

  • 0117125414

Molecular Formulas

Molecular Formula

  • C19-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C19-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21NO2S.ClH/c1-3-22-19(21)13(2)20-18-15-9-5-4-8-14(15)12-23-17-11-7-6-10-16(17)18;/h4-11,13,18,20H,3,12H2,1-2H3;1H/t13-,18?;/m0./s1

InChIKey

GBMRVLWVAULLIJ-UIHYYSMWSA-N

Smiles

CCOC(=O)[C@H](C)NC1c2ccccc2CSc3c1cccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 860, 1988.