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Substance Name: Pyridine, 4-(2,2-dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)-, ethanedioate (1:2), cis-(+-)-
RN: 74650-46-7
InChIKey: GHEIMCVQUYJDSR-SLAHTUFOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-F-N2.2C2-H2-O4

Molecular Weight

  • 450.4167
 
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Names and Synonyms

Synonym

  • cis-(+-)-4-(2,2-Dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74650-46-7

System Generated Number

  • 0074650467

Molecular Formulas

Molecular Formula

  • C17-H19-F-N2.2C2-H2-O4

Molecular Formula Fragments

  • C17-H19-F-N2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19FN2.2C2H2O4/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13;2*3-1(4)2(5)6/h3-10,15-16,20H,11H2,1-2H3;2*(H,3,4)(H,5,6)/t15-,16+;;/m0../s1

InChIKey

GHEIMCVQUYJDSR-SLAHTUFOSA-N

Smiles

CC1([C@@H](C[C@@H](N1)c2ccc(cc2)F)c3ccncc3)C.C(=O)(C(=O)O)O.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.