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Substance Name: 2-Propenamide, N-butyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-2-en-3-yl)-3-phenyl-, ethanedioate, hydrate (1:1:2)
RN: 171261-25-9
InChIKey: FWIQMUXRBDZIHN-RSGUCCNWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O.C2-H2-O4.2H2-O

Molecular Weight

  • 414.499
 
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Names and Synonyms

  • 2-Propenamide, N-butyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-2-en-3-yl)-3-phenyl-, ethanedioate, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 171261-25-9

System Generated Number

  • 0171261259

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O.C2-H2-O4.2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H28-N2-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H28N2O.C2H2O4/c1-3-4-14-23(20-15-18-11-12-19(16-20)22(18)2)21(24)13-10-17-8-6-5-7-9-17;3-1(4)2(5)6/h5-10,13,15,18-19H,3-4,11-12,14,16H2,1-2H3;(H,3,4)(H,5,6)/b13-10+;

InChIKey

FWIQMUXRBDZIHN-RSGUCCNWSA-N

Smiles

CCCCN(C1=CC2CCC(C1)N2C)C(=O)/C=C/c3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 62500ug/kg (62.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 197, 1995.