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Substance Name: 1-Propanamine, 3-(12H-benzo(f)naphtho(1,8-bc)thiepin-12-ylidene)-N,N-dimethyl-, hydrochloride, hydrate (1:1:1)
RN: 57360-24-4
InChIKey: FDAQAIWPUSVCBT-KCUXUEJTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-S.Cl-H.H2-O

Molecular Weight

  • 367.9418
 
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Names and Synonyms

Synonym

  • 12-(3-Dimethylaminopropylidene)-12H-benzo(f)naphtho(1,8-bc)thiepin hydrochloride monohydrate

Systematic Name

  • 1-Propanamine, 3-(12H-benzo(f)naphtho(1,8-bc)thiepin-12-ylidene)-N,N-dimethyl-, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 57360-24-4

System Generated Number

  • 0057360244

Molecular Formulas

Molecular Formula

  • C22-H21-N-S.Cl-H.H2-O

Molecular Formula Fragments

  • C22-H21-N-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H21NS.ClH/c1-23(2)15-7-12-17-18-10-3-4-13-20(18)24-21-14-6-9-16-8-5-11-19(17)22(16)21;/h3-6,8-14H,7,15H2,1-2H3;1H/b17-12+;

InChIKey

FDAQAIWPUSVCBT-KCUXUEJTSA-N

Smiles

CN(C)CC/C=c/1\c2ccccc2sc3cccc4c3c1ccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43mg/kg (43mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1604, 1975.
mouse LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1604, 1975.