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Substance Name: 1,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrate
RN: 117125-52-7
InChIKey: ZPCMBEHODMDWHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N2-S.2Cl-H.1/2H2-O

Molecular Weight

  • 371.3736
 
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Names and Synonyms

Synonym

  • N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-N',N'-dimethylethylenediamine 2HCl hemihydrate

Systematic Name

  • 1,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 117125-52-7

System Generated Number

  • 0117125527

Molecular Formulas

Molecular Formula

  • C18-H22-N2-S.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C18-H22-N2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H22N2S.2ClH/c1-20(2)12-11-19-18-15-8-4-3-7-14(15)13-21-17-10-6-5-9-16(17)18;;/h3-10,18-19H,11-13H2,1-2H3;2*1H

InChIKey

ZPCMBEHODMDWHP-UHFFFAOYSA-N

Smiles

CN(C)CCNC1c2ccccc2CSc3c1cccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 238mg/kg (238mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 860, 1988.