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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-chlorophenyl)allyl)-8-propionyl-, hydrochloride
RN: 2413-21-0
InChIKey: XAZGCAVILUWAMW-GZOLSCHFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-Cl-N2-O.Cl-H

Molecular Weight

  • 355.307
 
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Names and Synonyms

Synonym

  • 3-(3-(o-Chlorophenyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-chlorophenyl)allyl)-8-propionyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 2413-21-0

System Generated Number

  • 0002413210

Molecular Formulas

Molecular Formula

  • C18-H23-Cl-N2-O.Cl-H

Molecular Formula Fragments

  • C18-H23-Cl-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23ClN2O.ClH/c1-2-18(22)21-15-9-10-16(21)13-20(12-15)11-5-7-14-6-3-4-8-17(14)19;/h3-8,15-16H,2,9-13H2,1H3;1H/b7-5+;

InChIKey

XAZGCAVILUWAMW-GZOLSCHFSA-N

Smiles

N1([C@@H]2C[NH+](C\C=C\c3c(cccc3)Cl)C[C@@H]1CC2)C(CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 326, 1965.