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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)
RN: 70802-30-1
InChIKey: AUDAFCDSGSVRBQ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N2-O2.5/4C4-H4-O4

Molecular Weight

  • 432.514
 
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Names and Synonyms

Synonyms

  • 7-Butyl-3-(p-methoxybenzoyl)-3,7-diazabicyclo(3.3.1)nonane fumarate(4:5)
  • 7-Butyl-3-(p-methoxybenzoyl)bispidine fumarate(4:5)

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-methoxybenzoyl)-, fumarate (4:5)

Registry Numbers

CAS Registry Number

  • 70802-30-1

System Generated Number

  • 0070802301

Molecular Formulas

Molecular Formula

  • C19-H28-N2-O2.5/4C4-H4-O4

Molecular Formula Fragments

  • C19-H28-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28N2O2.C4H4O4/c1-3-4-9-20-11-15-10-16(12-20)14-21(13-15)19(22)17-5-7-18(23-2)8-6-17;5-3(6)1-2-4(7)8/h5-8,15-16H,3-4,9-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

AUDAFCDSGSVRBQ-BTJKTKAUSA-N

Smiles

N1(C(c2ccc(OC)cc2)=O)C[C@@H]2C[C@@H](C1)C[NH+](C2)CCCC.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1142, 1979.