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Substance Name: Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)-, (Z)-2-butenedioate (1:1)
RN: 67367-75-3
InChIKey: DFRRUMQFYKAWFQ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-N-O.C4-H4-O4

Molecular Weight

  • 459.539
 
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Names and Synonyms

Synonyms

  • 1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-((phenylmethyl)-2-propynylamino)ethanone maleate
  • VUFB-10695

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67367-75-3

System Generated Number

  • 0067367753

Molecular Formulas

Molecular Formula

  • C24-H25-N-O.C4-H4-O4

Molecular Formula Fragments

  • C24-H25-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H25NO.C4H4O4/c1-2-14-25(16-18-8-4-3-5-9-18)17-23(26)24-21-12-6-10-19(21)15-20-11-7-13-22(20)24;5-3(6)1-2-4(7)8/h1,3-5,8-9,15H,6-7,10-14,16-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DFRRUMQFYKAWFQ-BTJKTKAUSA-N

Smiles

c1(c2c(cc3CCCc13)CCC2)C(C[N@@H+](Cc1ccccc1)CC#C)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 970, 1978.