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Substance Name: Pyridine, 3-(2,2-dimethyl-5-phenyl-3-pyrrolidinyl)-, ethanedioate (2:1), trans-(+-)-
RN: 74650-40-1
InChIKey: YRYNHOKHISNSOZ-SEQXYTPGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H40-N4.C2-H2-O4

Molecular Weight

  • 594.7518
 
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Names and Synonyms

Synonym

  • trans-(+-)-3-(2,2-Dimethyl-5-phenyl-3-pyrrolidinyl)pyridine ethanedioate (2:1)

Systematic Name

  • Pyridine, 3-(2,2-dimethyl-5-phenyl-3-pyrrolidinyl)-, ethanedioate (2:1), trans-(+-)-

Registry Numbers

CAS Registry Number

  • 74650-40-1

System Generated Number

  • 0074650401

Molecular Formulas

Molecular Formula

  • C34-H40-N4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C34-H40-N4
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H20N2.C2H2O4/c2*1-17(2)15(14-9-6-10-18-12-14)11-16(19-17)13-7-4-3-5-8-13;3-1(4)2(5)6/h2*3-10,12,15-16,19H,11H2,1-2H3;(H,3,4)(H,5,6)/t2*15-,16-;/m00./s1

InChIKey

YRYNHOKHISNSOZ-SEQXYTPGSA-N

Smiles

CC1([C@@H](C[C@H](N1)c2ccccc2)c3cccnc3)C.CC1([C@@H](C[C@H](N1)c2ccccc2)c3cccnc3)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 125mg/kg (125mg/kg)   Helvetica Chimica Acta. Vol. 63, Pg. 630, 1980.