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Substance Name: Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)
RN: 21699-87-6
InChIKey: JRTPVROSRZRSSP-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-S.2C4-H4-O4

Molecular Weight

  • 494.562
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine maleate (1:2)

Systematic Name

  • Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 21699-87-6

System Generated Number

  • 0021699876

Molecular Formulas

Molecular Formula

  • C15-H22-N2-S.2C4-H4-O4

Molecular Formula Fragments

  • C15-H22-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H22N2S.2C4H4O4/c1-16-8-10-17(11-9-16)14-6-4-12-18-15-7-3-2-5-13(14)15;2*5-3(6)1-2-4(7)8/h2-3,5,7,14H,4,6,8-12H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

JRTPVROSRZRSSP-SPIKMXEPSA-N

Smiles

N1(C)CCN([C@@H]2CCCSc3c2cccc3)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 55mg/kg (55mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 4315, 1968.