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Substance Name: Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methoxybenzylidene)-3-(p-methoxyphenyl)-2-(3-(4-methyl-1-piperazinyl)propyl)-, 5,5-dioxide, maleate
RN: 102367-47-5
InChIKey: ISOSVTIGLJTKDU-KTCQOTSLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-N4-O4-S.C4-H4-O4

Molecular Weight

  • 654.7808
 
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Names and Synonyms

  • Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methoxybenzylidene)-3-(p-methoxyphenyl)-2-(3-(4-methyl-1-piperazinyl)propyl)-, 5,5-dioxide, maleate

Registry Numbers

CAS Registry Number

  • 102367-47-5

System Generated Number

  • 0102367475

Molecular Formulas

Molecular Formula

  • C29-H37-N4-O4-S.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C29H38N4O4S.C4H4O4/c1-31-15-17-32(18-16-31)13-4-14-33-29(23-7-11-26(37-3)12-8-23)27-21-38(34,35)20-24(28(27)30-33)19-22-5-9-25(36-2)10-6-22;5-3(6)1-2-4(7)8/h5-12,19,27,29H,4,13-18,20-21H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b24-19+;2-1-

InChIKey

ISOSVTIGLJTKDU-KTCQOTSLSA-N

Smiles

CN1CCN(CC1)CCCN2C(C3CS(=O)(=O)C/C(=C\c4ccc(cc4)OC)/C3=N2)c5ccc(cc5)OC.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 1482, 1982.