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Substance Name: 1H-(1)Benzothiepino(4,3,2-de)isoquinoline, 2,3,12,12a-tetrahydro-2-methyl-, (Z)-2-butenedioate (1:1)
RN: 93361-73-0
InChIKey: DFRTVFKMDZGREV-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N-S.C4-H4-O4

Molecular Weight

  • 383.466
 
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Names and Synonyms

Synonyms

  • 2,3,12,12a-Tetrahydro-2-methyl-1H-(1)benzothiepino(4,3,2-de)isoquinoline maleate
  • 2-Methyl-2,3,12,12a-tetrahydro-1H-(1)benzothiepino(2,3,4-ed)isoquinoline hydrogen maleate

Systematic Name

  • 1H-(1)Benzothiepino(4,3,2-de)isoquinoline, 2,3,12,12a-tetrahydro-2-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 93361-73-0

System Generated Number

  • 0093361730

Molecular Formulas

Molecular Formula

  • C17-H17-N-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H17-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17NS.C4H4O4/c1-18-10-13-6-4-8-16-17(13)14(11-18)9-12-5-2-3-7-15(12)19-16;5-3(6)1-2-4(7)8/h2-8,14H,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DFRTVFKMDZGREV-BTJKTKAUSA-N

Smiles

c12[C@@H]3Cc4ccccc4Sc1cccc2C[N@@H+](C)C3.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 717mg/kg (717mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 1021, 1984.