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Substance Name: (1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2)
RN: 43004-02-0
InChIKey: KUPQXWWIMHTATP-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-S.2C4-H4-O4

Molecular Weight

  • 543.594
 
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Names and Synonyms

Synonyms

  • 5,6-Dihydro-6-(4-methyl-1-piperazinyl)(1)benzothiepino(2,3-b)pyridine dimaleate
  • 6-(4-Methylpiperazino)-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate

Systematic Name

  • (1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 43004-02-0

System Generated Number

  • 0043004020

Molecular Formulas

Molecular Formula

  • C18-H21-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C18-H21-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N3S.2C4H4O4/c1-20-9-11-21(12-10-20)16-13-14-5-4-8-19-18(14)22-17-7-3-2-6-15(16)17;2*5-3(6)1-2-4(7)8/h2-8,16H,9-13H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

KUPQXWWIMHTATP-SPIKMXEPSA-N

Smiles

N1(CCN(C)CC1)[C@@H]1c2c(cccc2)Sc2c(C1)cccn2.C(\C=C/C(=O)O)(O)=O.C(\C=C/C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 73300ug/kg (73.3mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1693, 1973.