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Substance Name: Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 67367-73-1
InChIKey: KSLIDJGNQDVTFK-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N-O.C4-H4-O4.1/2H2-O

Molecular Weight

  • 463.571
 
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Names and Synonyms

Synonyms

  • 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(benzylisopropylamino)ethanone maleate hemihydrate
  • VUFB-10604

Systematic Name

  • Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 67367-73-1

System Generated Number

  • 0067367731

Molecular Formulas

Molecular Formula

  • C24-H29-N-O.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C24-H29-N-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H29NO.C4H4O4/c1-17(2)25(15-18-8-4-3-5-9-18)16-23(26)24-21-12-6-10-19(21)14-20-11-7-13-22(20)24;5-3(6)1-2-4(7)8/h3-5,8-9,14,17H,6-7,10-13,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

KSLIDJGNQDVTFK-BTJKTKAUSA-N

Smiles

c1(c2c(cc3CCCc13)CCC2)C(C[N@@H+](Cc1ccccc1)C(C)C)=O.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) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 970, 1978.