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Substance Name: Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(dimethylamino)propyl)-, ethanedioate (1:1)
RN: 87997-50-0
InChIKey: NGVBAIYSMAZTCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-S.C2-H2-O4

Molecular Weight

  • 412.5076
 
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Names and Synonyms

Synonyms

  • 11-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-carbonitrile hydrogen oxalate
  • 6,11-Dihydro-11-(3-(dimethylamino)propyl)dibenzo(b,e)thiepin-11-carbonitrile ethanedioate

Systematic Name

  • Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(3-(dimethylamino)propyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 87997-50-0

System Generated Number

  • 0087997500

Molecular Formulas

Molecular Formula

  • C20-H22-N2-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H22-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2S.C2H2O4/c1-22(2)13-7-12-20(15-21)17-9-4-3-8-16(17)14-23-19-11-6-5-10-18(19)20;3-1(4)2(5)6/h3-6,8-11H,7,12-14H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

NGVBAIYSMAZTCC-UHFFFAOYSA-N

Smiles

C[NH+](C)CCCC1(C#N)c2ccccc2CSc3ccccc13.OC(=O)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38mg/kg (38mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1898, 1983.