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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate
RN: 70802-25-4
InChIKey: VDGQJLLEGXUKSJ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2-O4.C4-H4-O4

Molecular Weight

  • 450.485
 
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Names and Synonyms

Synonyms

  • 7-Methyl-3-(3,4,5-trimethoxybenzoyl)-3,7-diazabicyclo(3.3.1)nonane fumarate
  • 7-Methyl-3-(3,4,5-trimethoxybenzoyl)bispidine fumarate

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate

Registry Numbers

CAS Registry Number

  • 70802-25-4

System Generated Number

  • 0070802254

Molecular Formulas

Molecular Formula

  • C18-H26-N2-O4.C4-H4-O4

Molecular Formula Fragments

  • C18-H26-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H26N2O4.C4H4O4/c1-19-8-12-5-13(9-19)11-20(10-12)18(21)14-6-15(22-2)17(24-4)16(7-14)23-3;5-3(6)1-2-4(7)8/h6-7,12-13H,5,8-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

VDGQJLLEGXUKSJ-BTJKTKAUSA-N

Smiles

c1(C(N2C[C@@H]3C[C@@H](C2)C[NH+](C3)C)=O)cc(c(OC)c(c1)OC)OC.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 241mg/kg (241mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1142, 1979.