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Substance Name: Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-propylidene)-, dimaleate, (E)-
RN: 25616-72-2
InChIKey: BGGKUJHBCOHBQO-VQQMUMEOSA-N

Molecular Formula

  • C24-H31-N3-O3-S2.2C4-H4-O4

Molecular Weight

  • 705.802
 
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Names and Synonyms

  • Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-propylidene)-, dimaleate, (E)-

Registry Numbers

CAS Registry Number

  • 25616-72-2

System Generated Number

  • 0025616722

Molecular Formulas

Molecular Formula

  • C24-H31-N3-O3-S2.2C4-H4-O4

Molecular Formula Fragments

  • C24-H31-N3-O3-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31N3O3S2.2C4H4O4/c1-25(2)32(29,30)19-9-10-24-22(18-19)20(21-6-3-4-8-23(21)31-24)7-5-11-26-12-14-27(15-13-26)16-17-28;2*5-3(6)1-2-4(7)8/h3-4,6-10,18,28H,5,11-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b20-7+;2*2-1+

InChIKey

BGGKUJHBCOHBQO-VQQMUMEOSA-N

Smiles

C1(=C\CCN2CCN(CCO)CC2)\c2cc(ccc2Sc2ccccc12)S(=O)(=O)N(C)C.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 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 17, 1970.