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Substance Name: 2-Azabicyclo(2.2.1)heptane-5-carboxylic acid, 2-methyl-5-phenyl-, ethyl ester, hydrochloride, (1S,4R,5R)-
RN: 17908-37-1
InChIKey: QVKCBUAOMOWWHM-LRRYJFTCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O2.Cl-H

Molecular Weight

  • 295.808
 
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Names and Synonyms

Synonym

  • (1S:4R:5R)-2-Methyl-5-phenyl-5-carbethoxy-2-azabicyclo(2.2.1)heptane hydrochloride

Systematic Name

  • 2-Azabicyclo(2.2.1)heptane-5-carboxylic acid, 2-methyl-5-phenyl-, ethyl ester, hydrochloride, (1S,4R,5R)-

Registry Numbers

CAS Registry Number

  • 17908-37-1

System Generated Number

  • 0017908371

Molecular Formulas

Molecular Formula

  • C16-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO2.ClH/c1-3-19-15(18)16(12-7-5-4-6-8-12)10-14-9-13(16)11-17(14)2;/h4-8,13-14H,3,9-11H2,1-2H3;1H/t13-,14-,16-;/m0./s1

InChIKey

QVKCBUAOMOWWHM-LRRYJFTCSA-N

Smiles

C1[N@@]([C@@H]2C[C@@]([C@H]1C2)(C(=O)OCC)c1ccccc1)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 subcutaneous 100mg/kg (100mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal Chemistry. Vol. 11, Pg. 219, 1968.