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Substance Name: Benzhydrol, alpha-(2-((3,4-dimethoxyphenethyl)methylamino)-1-methylethyl)-, oxalate, hydrate
RN: 4753-13-3
InChIKey: GQHDAJQJTMOJCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N-O3.C2-H2-O4.H2-O

Molecular Weight

  • 509.595
 
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Names and Synonyms

Synonyms

  • 1-Propanol, 3-((3,4-dimethoxyphenethyl)methylamino)-1,1-diphenyl-2-methyl-, oxalate, hydrate
  • alpha-(2-((3,4-Dimethoxyphenethyl)methylamino)-1-methylethyl)benzhydrol oxalate hydrate

Systematic Name

  • Benzhydrol, alpha-(2-((3,4-dimethoxyphenethyl)methylamino)-1-methylethyl)-, oxalate, hydrate

Registry Numbers

CAS Registry Number

  • 4753-13-3

System Generated Number

  • 0004753133

Molecular Formulas

Molecular Formula

  • C27-H33-N-O3.C2-H2-O4.H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H33-N-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H33NO3.C2H2O4/c1-21(20-28(2)18-17-22-15-16-25(30-3)26(19-22)31-4)27(29,23-11-7-5-8-12-23)24-13-9-6-10-14-24;3-1(4)2(5)6/h5-16,19,21,29H,17-18,20H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

GQHDAJQJTMOJCK-UHFFFAOYSA-N

Smiles

C([C@@H](C[N@@](C)CCc1cc(c(cc1)OC)OC)C)(O)(c1ccccc1)c1ccccc1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.