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Substance Name: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-morpholinoethyl)-, hydrochloride, hydrate (1:3:3)
RN: 23462-14-8
InChIKey: PTGXLHGHQPXKGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N3-O.3Cl-H.3H2-O

Molecular Weight

  • 492.912
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23462-14-8

System Generated Number

  • 0023462148

Molecular Formulas

Molecular Formula

  • C20-H31-N3-O.3Cl-H.3H2-O

Molecular Formula Fragments

  • C20-H31-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H31N3O.3ClH.3H2O/c1-2-5-18(6-3-1)15-22-16-19-7-4-8-20(17-22)23(19)10-9-21-11-13-24-14-12-21;;;;;;/h1-3,5-6,19-20H,4,7-17H2;3*1H;3*1H2

InChIKey

PTGXLHGHQPXKGN-UHFFFAOYSA-N

Smiles

N1([C@@H]2CN(C[C@@H]1CCC2)Cc1ccccc1)CCN1CCOCC1.Cl.Cl.Cl.O.O.O

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.