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Substance Name: beta-Alanine, N,N-dimethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-
RN: 87168-40-9
InChIKey: NSAFZAYQJDIELC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-N2-O2.2Cl-H

Molecular Weight

  • 313.2664
 
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Names and Synonyms

Synonym

  • exo-N,N-Dimethyl-beta-alanine 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester dihydrochloride

Systematic Name

  • beta-Alanine, N,N-dimethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-

Registry Numbers

CAS Registry Number

  • 87168-40-9

System Generated Number

  • 0087168409

Molecular Formulas

Molecular Formula

  • C13-H24-N2-O2.2Cl-H

Molecular Formula Fragments

  • C13-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H24N2O2.2ClH/c1-14(2)7-6-13(16)17-12-8-10-4-5-11(9-12)15(10)3;;/h10-12H,4-9H2,1-3H3;2*1H

InChIKey

NSAFZAYQJDIELC-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(C2)OC(=O)CCN(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 620mg/kg (620mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 345, 1983.