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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-nitrophenyl)allyl)-8-propionyl-, hydrochloride
RN: 448-35-1
InChIKey: QYTWNLVAHAWOCD-BJILWQEISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N3-O3.Cl-H

Molecular Weight

  • 365.859
 
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Names and Synonyms

Synonym

  • 3-(3-(p-Nitrophenyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-nitrophenyl)allyl)-8-propionyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 448-35-1

System Generated Number

  • 0000448351

Molecular Formulas

Molecular Formula

  • C18-H23-N3-O3.Cl-H

Molecular Formula Fragments

  • C18-H23-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23N3O3.ClH/c1-2-18(22)20-12-15-10-17(20)13-19(11-15)9-3-4-14-5-7-16(8-6-14)21(23)24;/h3-8,15,17H,2,9-13H2,1H3;1H/b4-3+;

InChIKey

QYTWNLVAHAWOCD-BJILWQEISA-N

Smiles

N1([C@@H]2C[C@@H](C[N@@](C2)C\C=C\c2ccc([N+](=O)[O-])cc2)C1)C(CC)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 326, 1965.