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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(2'-(1''-phenylcyclopentanecarboxylato)ethyl)-
RN: 63990-40-9
InChIKey: YBTSMQLFDICCCT-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

  • 8-Methyl-3-(2'-(1''-phenylcyclopentanecarboxylato)ethyl)-3,8-diazabicyclo(3.2.1)octane

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(2'-(1''-phenylcyclopentanecarboxylato)ethyl)-

Registry Numbers

CAS Registry Number

  • 63990-40-9

System Generated Number

  • 0063990409

Structure Descriptors

InChI

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

InChIKey

YBTSMQLFDICCCT-UHFFFAOYSA-N

Smiles

N1([C@@H]2CN(C[C@@H]1CC2)CCOC(C1(c2ccccc2)CCCC1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 215, 1970.