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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate
RN: 70802-39-0
InChIKey: NUBQDYNOSZGPAV-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O2.C4-H4-O4

Molecular Weight

  • 390.433
 
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Names and Synonyms

Synonyms

  • 3-(p-Methoxybenzoyl)-7-methyl-3,7-diazabicyclo(3.3.1)nonane fumarate
  • 3-(p-Methoxybenzoyl)-7-methylbispidine fumarate

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane, 3-(p-methoxybenzoyl)-7-methyl-, fumarate

Registry Numbers

CAS Registry Number

  • 70802-39-0

System Generated Number

  • 0070802390

Molecular Formulas

Molecular Formula

  • C16-H22-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C16-H22-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N2O2.C4H4O4/c1-17-8-12-7-13(9-17)11-18(10-12)16(19)14-3-5-15(20-2)6-4-14;5-3(6)1-2-4(7)8/h3-6,12-13H,7-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

NUBQDYNOSZGPAV-BTJKTKAUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 181mg/kg (181mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1142, 1979.