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Substance Name: Ethanone, 2-(4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1-piperazinyl)-1-(4-methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1)
RN: 64695-77-8
InChIKey: UCGKCTSALUMKAS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-N2-O3-S.C4-H4-O4

Molecular Weight

  • 554.6606
 
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Names and Synonyms

Synonyms

  • 1-(s-Hydrindacen-4-yl)-4-(4-methylsulfonylphenacyl)piperazine maleate
  • VUFB-10644

Systematic Name

  • Ethanone, 2-(4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1-piperazinyl)-1-(4-methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 64695-77-8

System Generated Number

  • 0064695778

Molecular Formulas

Molecular Formula

  • C25-H30-N2-O3-S.C4-H4-O4

Molecular Formula Fragments

  • C25-H30-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30N2O3S.C4H4O4/c1-31(29,30)21-10-8-18(9-11-21)24(28)17-26-12-14-27(15-13-26)25-22-6-2-4-19(22)16-20-5-3-7-23(20)25;5-3(6)1-2-4(7)8/h8-11,16H,2-7,12-15,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

UCGKCTSALUMKAS-WLHGVMLRSA-N

Smiles

CS(=O)(=O)c1ccc(cc1)C(=O)CN2CCN(CC2)c3c4c(cc5c3CCC5)CCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 1992, 1977.