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Substance Name: Pyridine, 3-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)-, trans-(+-)-, ethanedioate (1:1)
RN: 74650-43-4
InChIKey: HASAARQMXADOOJ-YYLIZZNMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N3.C2-H2-O4

Molecular Weight

  • 343.3809
 
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Names and Synonyms

Synonym

  • trans-(+-)-3-(5,5-Dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)pyridine

Systematic Name

  • Pyridine, 3-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)-, trans-(+-)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 74650-43-4

System Generated Number

  • 0074650434

Molecular Formulas

Molecular Formula

  • C16-H19-N3.C2-H2-O4

Molecular Formula Fragments

  • C16-H19-N3
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19N3.C2H2O4/c1-16(2)14(12-5-8-17-9-6-12)10-15(19-16)13-4-3-7-18-11-13;3-1(4)2(5)6/h3-9,11,14-15,19H,10H2,1-2H3;(H,3,4)(H,5,6)/t14-,15-;/m0./s1

InChIKey

HASAARQMXADOOJ-YYLIZZNMSA-N

Smiles

CC1([C@@H](C[C@H](N1)c2cccnc2)c3ccncc3)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Helvetica Chimica Acta. Vol. 63, Pg. 630, 1980.