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Substance Name: 1-Pyrrolidinepropanol, beta-methyl-alpha-phenyl-alpha-o-tolyl-, oxalate (1:1)
RN: 4059-26-1
InChIKey: OGSMZLVFSJQENN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O.C2-H2-O4

Molecular Weight

  • 399.484
 
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Names and Synonyms

Synonym

  • beta-Methyl-alpha-phenyl-alpha-o-tolyl-1-pyrrolidinepropanol oxalate

Systematic Name

  • 1-Pyrrolidinepropanol, beta-methyl-alpha-phenyl-alpha-o-tolyl-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 4059-26-1

System Generated Number

  • 0004059261

Molecular Formulas

Molecular Formula

  • C21-H27-N-O.C2-H2-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C21H27NO.C2H2O4/c1-17-10-6-7-13-20(17)21(23,19-11-4-3-5-12-19)18(2)16-22-14-8-9-15-22;3-1(4)2(5)6/h3-7,10-13,18,23H,8-9,14-16H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

OGSMZLVFSJQENN-UHFFFAOYSA-N

Smiles

N1(C[C@@H](C)[C@@](c2c(cccc2)C)(c2ccccc2)O)CCCC1.C(C(O)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 250mg/kg (250mg/kg) BEHAVIORAL: ANTICONVULSANT

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

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