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Substance Name: Benzhydrol, alpha-(2-butylamino-1-methylethyl)-, maleate (1:1)
RN: 13500-66-8
InChIKey: UEUPQKOQUSAYRE-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O.C4-H4-O4

Molecular Weight

  • 413.511
 
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Names and Synonyms

Synonyms

  • 1,1-Diphenyl-2-methyl-3-(butylamino)propanol maleate
  • alpha-(2-Butylamino-1-methylethyl)benzhydrol maleate

Systematic Name

  • Benzhydrol, alpha-(2-butylamino-1-methylethyl)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 13500-66-8

System Generated Number

  • 0013500668

Molecular Formulas

Molecular Formula

  • C20-H27-N-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H27-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO.C4H4O4/c1-3-4-15-21-16-17(2)20(22,18-11-7-5-8-12-18)19-13-9-6-10-14-19;5-3(6)1-2-4(7)8/h5-14,17,21-22H,3-4,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

UEUPQKOQUSAYRE-BTJKTKAUSA-N

Smiles

c1(ccccc1)C(c1ccccc1)([C@@H](CNCCCC)C)O.C(=C/C(O)=O)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.