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Substance Name: Dibenzo(b,e)thiepin-11-propanamine, 6,11-dihydro-N,N-dimethyl-6-phenyl-, ethanedioate, hydrate (1:1:1)
RN: 122942-80-7
InChIKey: NBNCDCYBOFJKDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-S.C2-H2-O4.H2-O

Molecular Weight

  • 463.5951
 
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Names and Synonyms

Synonyms

  • 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate
  • N,N-Dimethyl-3-(6-phenyl-6,11-dihydrodibenzo(b,e)thiepin-11-yl)propylamine oxalate hydrate

Systematic Name

  • Dibenzo(b,e)thiepin-11-propanamine, 6,11-dihydro-N,N-dimethyl-6-phenyl-, ethanedioate, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 122942-80-7

System Generated Number

  • 0122942807

Molecular Formulas

Molecular Formula

  • C25-H27-N-S.C2-H2-O4.H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H27-N-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H27NS.C2H2O4/c1-26(2)18-10-16-20-21-13-6-7-15-23(21)25(19-11-4-3-5-12-19)27-24-17-9-8-14-22(20)24;3-1(4)2(5)6/h3-9,11-15,17,20,25H,10,16,18H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

NBNCDCYBOFJKDK-UHFFFAOYSA-N

Smiles

CN(C)CCCC1c2ccccc2SC(c3ccccc3)c4ccccc14.OC(=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 582mg/kg (582mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 235, 1989.