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Substance Name: Ethanone, 1-(4-cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate
RN: 85689-89-0
InChIKey: DJLPHBKIJUOYBX-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O.C4-H4-O4.H2-O

Molecular Weight

  • 451.56
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)ethanone maleate hydrate

Systematic Name

  • Ethanone, 1-(4-cyclopentylphenyl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate

Registry Numbers

CAS Registry Number

  • 85689-89-0

System Generated Number

  • 0085689890

Molecular Formulas

Molecular Formula

  • C23-H29-N-O.C4-H4-O4.H2-O

Molecular Formula Fragments

  • C23-H29-N-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H29NO.C4H4O4/c1-18(2)24(16-19-8-4-3-5-9-19)17-23(25)22-14-12-21(13-15-22)20-10-6-7-11-20;5-3(6)1-2-4(7)8/h3-5,8-9,12-15,18,20H,6-7,10-11,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DJLPHBKIJUOYBX-BTJKTKAUSA-N

Smiles

c1(C2CCCC2)ccc(cc1)C(=O)C[N@@H+](Cc1ccccc1)C(C)C.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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT
Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 642, 1983.