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Substance Name: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-(diethylamino)propyl)-, hydrochloride, hydrate (1:3:3)
RN: 23462-16-0
InChIKey: ZSYIOODCTFEYQV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H35-N3.3Cl-H.3H2-O

Molecular Weight

  • 456.495
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23462-16-0

System Generated Number

  • 0023462160

Molecular Formulas

Molecular Formula

  • C21-H35-N3.3Cl-H.3H2-O

Molecular Formula Fragments

  • C21-H35-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H35N3.2ClH.3H2O/c1-3-22(4-2)14-9-15-24-20-12-8-13-21(24)18-23(17-20)16-19-10-6-5-7-11-19;;;;;/h5-7,10-11,20-21H,3-4,8-9,12-18H2,1-2H3;2*1H;3*1H2

InChIKey

ZSYIOODCTFEYQV-UHFFFAOYSA-N

Smiles

[NH+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)CCC[NH+](CC)CC.O.O.O.[ClH-].[ClH-]

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.