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Substance Name: Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)
RN: 85689-85-6
InChIKey: IQKMEQOTQJBZAK-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O.C4-H4-O4

Molecular Weight

  • 375.462
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclopentylphenyl)-2-(diethylamino)ethanone (Z)-2-butenedioate

Systematic Name

  • Ethanone, 1-(4-cyclopentylphenyl)-2-(diethylamino)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 85689-85-6

System Generated Number

  • 0085689856

Molecular Formulas

Molecular Formula

  • C17-H25-N-O.C4-H4-O4

Molecular Formula Fragments

  • C17-H25-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO.C4H4O4/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14;5-3(6)1-2-4(7)8/h9-12,14H,3-8,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

IQKMEQOTQJBZAK-BTJKTKAUSA-N

Smiles

c1(C2CCCC2)ccc(cc1)C(=O)C[NH+](CC)CC.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62500ug/kg (62.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

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