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Substance Name: Benzhydrol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-, oxalate (1:1)
RN: 4059-25-0
InChIKey: VFWGOIAHNNKTRW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Cl-N-O.C2-H2-O4

Molecular Weight

  • 393.865
 
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Names and Synonyms

Synonyms

  • 1-Propanol, 1-p-chlorophenyl-3-dimethylamino-2-methyl-1-phenyl-, oxalate
  • 4-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)benzhydrol oxalate

Systematic Name

  • Benzhydrol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 4059-25-0

System Generated Number

  • 0004059250

Molecular Formulas

Molecular Formula

  • C18-H22-Cl-N-O.C2-H2-O4

Molecular Formula Fragments

  • C18-H22-Cl-N-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22ClNO.C2H2O4/c1-14(13-20(2)3)18(21,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;3-1(4)2(5)6/h4-12,14,21H,13H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

VFWGOIAHNNKTRW-UHFFFAOYSA-N

Smiles

c1([C@@]([C@@H](CN(C)C)C)(O)c2ccccc2)ccc(Cl)cc1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.