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Substance Name: 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-chlorobenzoyl)-, fumarate
RN: 70802-32-3
InChIKey: IKJTTXFZYMKQKS-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-Cl-N2-O.C4-H4-O4

Molecular Weight

  • 436.933
 
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Names and Synonyms

Synonyms

  • 7-Butyl-3-(p-chlorobenzoyl)-3,7-diazabicyclo(3.3.1)nonane fumarate
  • 7-Butyl-3-(p-chlorobenzoyl)bispidine fumarate

Systematic Name

  • 3,7-Diazabicyclo(3.3.1)nonane, 7-butyl-3-(p-chlorobenzoyl)-, fumarate

Registry Numbers

CAS Registry Number

  • 70802-32-3

System Generated Number

  • 0070802323

Molecular Formulas

Molecular Formula

  • C18-H25-Cl-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C18-H25-Cl-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25ClN2O.C4H4O4/c1-2-3-8-20-10-14-9-15(11-20)13-21(12-14)18(22)16-4-6-17(19)7-5-16;5-3(6)1-2-4(7)8/h4-7,14-15H,2-3,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

IKJTTXFZYMKQKS-BTJKTKAUSA-N

Smiles

N1(C(c2ccc(Cl)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 202mg/kg (202mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1142, 1979.