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Substance Name: Benzamide, 2,3-dimethoxy-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-2-yl)-, hydrate (3:2), exo-
RN: 92772-50-4
InChIKey: GYYAJSAUWPUHAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O3.2/3H2-O

Molecular Weight

  • 1177.4852
 
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Names and Synonyms

Synonym

  • exo-2,3-Dimethoxy-N-(8-benzyl-8-azabicyclo(3.2.1)oct-3-yl)benzamide hydrate (3:2)

Systematic Name

  • Benzamide, 2,3-dimethoxy-N-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-2-yl)-, hydrate (3:2), exo-

Registry Numbers

CAS Registry Number

  • 92772-50-4

System Generated Number

  • 0092772504

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O3.2/3H2-O

Molecular Formula Fragments

  • C23-H28-N2-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/3C23H28N2O3.2H2O/c3*1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16;;/h3*3-10,17-19H,11-15H2,1-2H3,(H,24,26);2*1H2

InChIKey

GYYAJSAUWPUHAW-UHFFFAOYSA-N

Smiles

O.O.COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc4ccccc4)c1OC.COc5cccc(C(=O)NC6CC7CCC(C6)N7Cc8ccccc8)c5OC.COc9cccc(C(=O)NC%10CC%11CCC(C%10)N%11Cc%12ccccc%12)c9OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   United States Patent Document. Vol. #4321378,