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Substance Name: 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(4-methyl-1-piperazinyl)-, maleate (1:2)
RN: 21699-91-2
InChIKey: AZVURJKDMXIBLU-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O-S.2C4-H4-O4

Molecular Weight

  • 508.545
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-4-(4-methyl-1-piperazinyl)-1-benzothiepin-5(2H)-one maleate (1:2)
  • 4-(4-Methylpiperazino)-2,3,4,5-tetrahydro-1-benzothiepin-5-one bis(hydrogen maleate)

Systematic Name

  • 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(4-methyl-1-piperazinyl)-, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 21699-91-2

System Generated Number

  • 0021699912

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C15-H20-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20N2OS.2C4H4O4/c1-16-7-9-17(10-8-16)13-6-11-19-14-5-3-2-4-12(14)15(13)18;2*5-3(6)1-2-4(7)8/h2-5,13H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

AZVURJKDMXIBLU-SPIKMXEPSA-N

Smiles

N1([C@@H]2CCSc3ccccc3C2=O)CCN(C)CC1.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 100mg/kg (100mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 4315, 1968.