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Substance Name: Butanedioic acid, phenyl-, 1-cyclohexyl 4-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) ester, ethanedioate (1:1)
RN: 114648-88-3
InChIKey: USMDTYNGRUSOQZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H33-N-O4.C2-H2-O4

Molecular Weight

  • 489.5615
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 114648-88-3

System Generated Number

  • 0114648883

Molecular Formulas

Molecular Formula

  • C24-H33-N-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H33-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H33NO4.C2H2O4/c1-25-18-12-13-19(25)15-21(14-18)28-23(26)16-22(17-8-4-2-5-9-17)24(27)29-20-10-6-3-7-11-20;3-1(4)2(5)6/h2,4-5,8-9,18-22H,3,6-7,10-16H2,1H3;(H,3,4)(H,5,6)

InChIKey

USMDTYNGRUSOQZ-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(C2)OC(=O)CC(c3ccccc3)C(=O)OC4CCCCC4.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg)   Egyptian Journal of Pharmaceutical Sciences. Vol. 28, Pg. 149, 1987.