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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-(2''-phenylcyclopentanecarboxylato)ethyl)-
RN: 63990-39-6
InChIKey: XQCDUWUKRBQSIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O2

Molecular Weight

  • 342.48
 
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Names and Synonyms

Synonym

  • 3-Methyl-8-(2'-(2''-phenylcyclopentanecarboxylato)ethyl)-3,8-diazabicyclo(3.2.1)octane

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-(2'-(2''-phenylcyclopentanecarboxylato)ethyl)-

Registry Numbers

CAS Registry Number

  • 63990-39-6

System Generated Number

  • 0063990396

Structure Descriptors

InChI

1S/C21H30N2O2/c1-22-17-10-11-18(22)15-23(14-17)12-13-25-21(24)20-9-5-8-19(20)16-6-3-2-4-7-16/h2-4,6-7,17-20H,5,8-15H2,1H3

InChIKey

XQCDUWUKRBQSIB-UHFFFAOYSA-N

Smiles

N1(C)[C@@H]2CN(CCOC([C@@H]3[C@@H](c4ccccc4)CCC3)=O)C[C@@H]1CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 214, 1970.