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Substance Name: Benzenemethanol, 4-cyclopentyl-alpha-((methyl(phenylmethyl)amino)methyl)-, (Z)-2-butenedioate (1:1)
RN: 85689-97-0
InChIKey: DHYINJJDKMAQOG-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O.C4-H4-O4

Molecular Weight

  • 425.5219
 
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Names and Synonyms

Synonym

  • 4-Cyclopentyl-alpha-((methyl(phenylmethyl)amino)methyl)benzenemethanol hydrogen maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85689-97-0

System Generated Number

  • 0085689970

Molecular Formulas

Molecular Formula

  • C21-H27-N-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H27-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO.C4H4O4/c1-16(17-8-4-3-5-9-17)22(2)21(23)20-14-12-19(13-15-20)18-10-6-7-11-18;5-3(6)1-2-4(7)8/h3-5,8-9,12-16,18,21,23H,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DHYINJJDKMAQOG-BTJKTKAUSA-N

Smiles

CC(c1ccccc1)N(C)C(c2ccc(cc2)C3CCCC3)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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

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