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Substance Name: 1-Pyrrolidinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, hydrate, exo- (2:4:1)
RN: 87168-44-3
InChIKey: OCUFAPCZYRLCMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H26-N2-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 339.3042
 
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Names and Synonyms

Synonym

  • exo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl-1-pyrrolidinepropanoate dihydrochloride hydrate

Systematic Name

  • 1-Pyrrolidinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, hydrate, exo- (2:4:1)

Registry Numbers

CAS Registry Number

  • 87168-44-3

System Generated Number

  • 0087168443

Molecular Formulas

Molecular Formula

  • C15-H26-N2-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C15-H26-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H26N2O2.2ClH/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17;;/h12-14H,2-11H2,1H3;2*1H

InChIKey

OCUFAPCZYRLCMB-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(C2)OC(=O)CCN3CCCC3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 345, 1983.