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Substance Name: Dibenzo(b,e)thiepin-9-carboxylic acid, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, hydrochloride
RN: 138970-96-4
InChIKey: XTLCFYYQUYPLAW-OYXUYBEVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O2-S.Cl-H

Molecular Weight

  • 375.9178
 
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Names and Synonyms

Synonyms

  • (E)-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepine-9-carboxylic acid HCl
  • VUFB 17,744

Systematic Name

  • Dibenzo(b,e)thiepin-9-carboxylic acid, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 138970-96-4

System Generated Number

  • 0138970964

Molecular Formulas

Molecular Formula

  • C20-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C20-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO2S.ClH/c1-21(2)11-5-7-16-17-6-3-4-8-19(17)24-13-15-10-9-14(20(22)23)12-18(15)16;/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23);1H/b16-7+;

InChIKey

XTLCFYYQUYPLAW-OYXUYBEVSA-N

Smiles

Cl.CN(C)CC\C=C\1/c2ccccc2SCc3ccc(cc13)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 886mg/kg (886mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 56, Pg. 2482, 1991.