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Substance Name: Butanedioic acid, 2-phenyl-, 4-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 1-(2-methylpropyl) ester, ethanedioate (1:1)
RN: 114648-86-1
InChIKey: HYMSHUSUVPEZNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O4.C2-H2-O4

Molecular Weight

  • 463.5237
 
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Names and Synonyms

Synonym

  • 8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3-carbisobutoxy 3-phenylpropionate

Systematic Name

  • Butanedioic acid, 2-phenyl-, 4-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 1-(2-methylpropyl) ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 114648-86-1

System Generated Number

  • 0114648861

Molecular Formulas

Molecular Formula

  • C22-H31-N-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H31-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31NO4.C2H2O4/c1-15(2)14-26-22(25)20(16-7-5-4-6-8-16)13-21(24)27-19-11-17-9-10-18(12-19)23(17)3;3-1(4)2(5)6/h4-8,15,17-20H,9-14H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

HYMSHUSUVPEZNT-UHFFFAOYSA-N

Smiles

CC(C)COC(=O)C(CC(=O)OC1CC2CCC(C1)N2C)c3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   Egyptian Journal of Pharmaceutical Sciences. Vol. 28, Pg. 149, 1987.