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Substance Name: Benzhydrol, alpha-(2-(cyclopentylmethylamino)-1-methylethyl)-, maleate
RN: 78110-03-9
InChIKey: JJPSHTCFBIXNHB-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O.C4-H4-O4

Molecular Weight

  • 439.5487
 
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Names and Synonyms

Synonyms

  • 1,1-Diphenyl-2-methyl-3-(N-cyclopentyl-N-methylamino)propanol maleate
  • alpha-(2-(Cyclopentylmethylamino)-1-methylethyl)benzhydrol maleate

Systematic Name

  • Benzhydrol, alpha-(2-(cyclopentylmethylamino)-1-methylethyl)-, maleate

Registry Numbers

CAS Registry Number

  • 78110-03-9

System Generated Number

  • 0078110039

Molecular Formulas

Molecular Formula

  • C22-H29-N-O.C4-H4-O4

Molecular Formula Fragments

  • C22-H29-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO.C4H4O4/c1-18(17-23(2)21-15-9-10-16-21)22(24,19-11-5-3-6-12-19)20-13-7-4-8-14-20;5-3(6)1-2-4(7)8/h3-8,11-14,18,21,24H,9-10,15-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

JJPSHTCFBIXNHB-BTJKTKAUSA-N

Smiles

CC(CN(C)C1CCCC1)C(c2ccccc2)(c3ccccc3)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 133mg/kg (133mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.