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Substance Name: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)propyl)-, hydrochloride, hydrate (1:3:2)
RN: 23462-19-3
InChIKey: FVQJSFRWGSPYGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N3.3Cl-H.2H2-O

Molecular Weight

  • 446.887
 
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Names and Synonyms

Synonym

  • 3-Benzyl-9-(2-(dimethylamino)propyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate

Systematic Name

  • 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)propyl)-, hydrochloride, hydrate (1:3:2)

Registry Numbers

CAS Registry Number

  • 23462-19-3

System Generated Number

  • 0023462193

Molecular Formulas

Molecular Formula

  • C19-H31-N3.3Cl-H.2H2-O

Molecular Formula Fragments

  • C19-H31-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H31N3.3ClH.2H2O/c1-20(2)12-7-13-22-18-10-6-11-19(22)16-21(15-18)14-17-8-4-3-5-9-17;;;;;/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3;3*1H;2*1H2

InChIKey

FVQJSFRWGSPYGQ-UHFFFAOYSA-N

Smiles

N1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)CCCN(C)C.O.O.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg) AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC Pharmaceutical Chemistry Journal Vol. 3, Pg. 68, 1969.