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Substance Name: Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate
RN: 16946-57-9
InChIKey: XRRKWCPTCNWRBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N-O-S.Cl-H.H2-O

Molecular Weight

  • 279.7896
 
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Names and Synonyms

Synonyms

  • 10,11-Dihydro-11-aminodibenzo(b,f)thiepin-10-ol hydrochloride hydrate
  • 11-Amino-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrochloride monohydrate

Systematic Name

  • Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-11-amino-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 16946-57-9

System Generated Number

  • 0016946579

Molecular Formulas

Molecular Formula

  • C14-H13-N-O-S.Cl-H.H2-O

Molecular Formula Fragments

  • C14-H13-N-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H13NOS.ClH/c15-13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(13)16;/h1-8,13-14,16H,15H2;1H

InChIKey

XRRKWCPTCNWRBY-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(C(c3ccccc3S2)O)[NH3+].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 3186, 1967.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 3186, 1967.