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Substance Name: Thieno(2,3-c)(2)benzothiepin-delta(sup 4(9H),gamma)-propylamine, N,N-dimethyl-, 10-oxide, maleate (1:1)
RN: 16220-41-0
InChIKey: JKVHIZIIFJKVOD-IXPLEDEHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O-S2.C4-H4-O4

Molecular Weight

  • 433.547
 
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Names and Synonyms

Synonym

  • 4-(3-Dimethylaminopropylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin-10-oxide maletate

Systematic Name

  • Thieno(2,3-c)(2)benzothiepin-delta(sup 4(9H),gamma)-propylamine, N,N-dimethyl-, 10-oxide, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 16220-41-0

Related Registry Number

  • 11119-54-3 (Parent)

System Generated Number

  • 0016220410

Molecular Formulas

Molecular Formula

  • C17-H19-N-O-S2.C4-H4-O4

Molecular Formula Fragments

  • C17-H19-N-O-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19NOS2.C4H4O4/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-21(19)17-16(15)9-11-20-17;5-3(6)1-2-4(7)8/h3-4,6-9,11H,5,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b15-8+;2-1+

InChIKey

JKVHIZIIFJKVOD-IXPLEDEHSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.C(C\C=C1\c2c([S@@](Cc3c1cccc3)=O)scc2)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 94mg/kg (94mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 2854, 1967.