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Substance Name: Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(o-methylbenzylidene)-2-(3-(4-methyl-1-piperazinyl)propyl)-3-o-tolyl-, maleate
RN: 102367-50-0
InChIKey: WOZFSSNLHBFRJO-LAOPAFNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-N4-S.C4-H4-O4

Molecular Weight

  • 606.7838
 
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Names and Synonyms

  • Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(o-methylbenzylidene)-2-(3-(4-methyl-1-piperazinyl)propyl)-3-o-tolyl-, maleate

Registry Numbers

CAS Registry Number

  • 102367-50-0

System Generated Number

  • 0102367500

Molecular Formulas

Molecular Formula

  • C29-H37-N4-S.C4-H4-O4

Molecular Formula Fragments

  • C29-H37-N4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H38N4OS.C4H4O4/c1-22-9-4-6-11-24(22)19-25-20-34-21-26-28(25)30-33(14-8-13-32-17-15-31(3)16-18-32)29(26)35-27-12-7-5-10-23(27)2;5-3(6)1-2-4(7)8/h4-7,9-12,19,26,29H,8,13-18,20-21H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b25-19+;2-1-

InChIKey

WOZFSSNLHBFRJO-LAOPAFNKSA-N

Smiles

Cc1ccccc1/C=C/2\COCC3C2=NN(C3Sc4ccccc4C)CCCN5CCN(CC5)C.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 1482, 1982.