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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 8-propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-, hydrochloride
RN: 1794-43-0
InChIKey: DTEQODYKKIEQPB-UHDJGPCESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O4.Cl-H

Molecular Weight

  • 410.939
 
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Names and Synonyms

Synonym

  • 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 8-propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1794-43-0

System Generated Number

  • 0001794430

Molecular Formulas

Molecular Formula

  • C21-H30-N2-O4.Cl-H

Molecular Formula Fragments

  • C21-H30-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30N2O4.ClH/c1-5-20(24)23-16-8-9-17(23)14-22(13-16)10-6-7-15-11-18(25-2)21(27-4)19(12-15)26-3;/h6-7,11-12,16-17H,5,8-10,13-14H2,1-4H3;1H/b7-6+;

InChIKey

DTEQODYKKIEQPB-UHDJGPCESA-N

Smiles

N1(C\C=C\c2cc(c(c(c2)OC)OC)OC)C[C@@H]2CC[C@@H](C1)N2C(CC)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 326, 1965.