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Substance Name: Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)amino)methyl)-, (Z)-2-butenedioate (1:1)
RN: 85689-83-4
InChIKey: NDJXJNKNXUWHTE-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O.C4-H4-O4

Molecular Weight

  • 363.4511
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclopentylphenyl)-2-(isopropylamino)ethanol hydrogen maleate

Systematic Name

  • Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)amino)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 85689-83-4

System Generated Number

  • 0085689834

Molecular Formulas

Molecular Formula

  • C16-H25-N-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H25-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO.C4H4O4/c1-13(2)17-12-18-11-14-7-9-16(10-8-14)15-5-3-4-6-15;5-3(6)1-2-4(7)8/h7-10,13,15,17H,3-6,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

NDJXJNKNXUWHTE-BTJKTKAUSA-N

Smiles

CC(C)NCOCc1ccc(cc1)C2CCCC2.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

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