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Substance Name: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-
RN: 21465-96-3
InChIKey: KSKSBUCXOLAYQF-GOARLZNHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O-S.C4-H4-O4

Molecular Weight

  • 441.5453
 
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Names and Synonyms

  • Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, 5-oxide, maleate (1:1), (E)-

Registry Numbers

CAS Registry Number

  • 21465-96-3

System Generated Number

  • 0021465963

Molecular Formulas

Molecular Formula

  • C20-H23-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H23-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NOS.C4H4O4/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-23(20)22;5-3(6)1-2-4(7)8/h4-5,7-11,13H,6,12,14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b18-9-;2-1-

InChIKey

KSKSBUCXOLAYQF-GOARLZNHSA-N

Smiles

C[NH+](C)CC\C=C/1\c2ccccc2CS(=O)c3ccc(C)cc13.OC(=O)\C=C/C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 34, Pg. 1015, 1969.