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Substance Name: Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-, propionate, oxalate, hydrate (2:1:1)
RN: 4071-29-8
InChIKey: BKRSTEXBBFUTHT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O2.C2-H2-O4.1/2H2-O

Molecular Weight

  • 415.483
 
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Names and Synonyms

Synonyms

  • 1-Propanol, 3-dimethylamino-1,1-diphenyl-2-methyl-, propionate, oxalate, hydrate
  • 3-Dimethylamino-1,1-diphenyl-2-methyl-1-propionoxypropane oxalate hydrate
  • alpha-(2-(Dimethylamino)-1-methylethyl)benzhydrol propionate oxalate hydrate

Systematic Name

  • Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-, propionate, oxalate, hydrate (2:1:1)

Registry Numbers

CAS Registry Number

  • 4071-29-8

System Generated Number

  • 0004071298

Molecular Formulas

Molecular Formula

  • C21-H27-N-O2.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H27-N-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H27NO2.C2H2O4/c1-5-20(23)24-21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;3-1(4)2(5)6/h6-15,17H,5,16H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

BKRSTEXBBFUTHT-UHFFFAOYSA-N

Smiles

C(C(=O)O)(=O)O.C(CC)(=O)OC(c1ccccc1)(c1ccccc1)[C@@H](CN(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 190mg/kg (190mg/kg) BEHAVIORAL: ANTICONVULSANT

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BEHAVIORAL: ALTERATION OF CLASSICAL CONDITIONING
Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.