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Substance Name: Acetamide, N-(4-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)phenyl)-, cis-(+-)-, ethanedioate (2:3)
RN: 74650-33-2
InChIKey: KZPKQSFVYAXYRL-NSUGPOBRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H46-N6-O2.C6-H6-O12

Molecular Weight

  • 888.9228
 
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Names and Synonyms

  • Acetamide, N-(4-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)phenyl)-, cis-(+-)-, ethanedioate (2:3)

Registry Numbers

CAS Registry Number

  • 74650-33-2

System Generated Number

  • 0074650332

Molecular Formulas

Molecular Formula

  • C38-H46-N6-O2.C6-H6-O12

Molecular Formula Fragments

  • C38-H46-N6-O2
  • C6-H6-O12
  • COMPONENT

Structure Descriptors

InChI

1S/2C19H23N3O.3C2H2O4/c2*1-13(23)21-16-6-4-15(5-7-16)18-12-17(19(2,3)22-18)14-8-10-20-11-9-14;3*3-1(4)2(5)6/h2*4-11,17-18,22H,12H2,1-3H3,(H,21,23);3*(H,3,4)(H,5,6)/t2*17-,18+;;;/m11.../s1

InChIKey

KZPKQSFVYAXYRL-NSUGPOBRSA-N

Smiles

CC(=O)Nc1ccc(cc1)[C@@H]2C[C@@H](C(N2)(C)C)c3ccncc3.CC(=O)Nc1ccc(cc1)[C@@H]2C[C@@H](C(N2)(C)C)c3ccncc3.C(=O)(C(=O)O)O.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 500mg/kg (500mg/kg)   Helvetica Chimica Acta. Vol. 63, Pg. 630, 1980.