Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-nitrophenyl)allyl)-8-propionyl-, hydrochloride
RN: 448-33-9
InChIKey: ZWRRDJDNGCWWAX-GZOLSCHFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N3-O3.Cl-H

Molecular Weight

  • 365.859
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 448-33-9

System Generated Number

  • 0000448339

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)20-12-14-10-16(20)13-19(11-14)9-5-7-15-6-3-4-8-17(15)21(23)24;/h3-8,14,16H,2,9-13H2,1H3;1H/b7-5+;

InChIKey

ZWRRDJDNGCWWAX-GZOLSCHFSA-N

Smiles

N1([C@@H]2C[C@@H](C[N@@](C2)C\C=C\c2c(cccc2)[N+](=O)[O-])C1)C(CC)=O.Cl

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.