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Substance Name: 1-Naphthoic acid, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, methyl ester, hydrochloride, (E)-
RN: 63979-19-1
InChIKey: MGJBHISEQPOUJP-MLVYHOMMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O2.Cl-H

Molecular Weight

  • 345.868
 
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Names and Synonyms

Synonym

  • trans-1,2,3,4-Tetrahydro-4-carbomethoxy-1-dimethylamino-4-phenylnaphthalene hydrochloride

Systematic Name

  • 1-Naphthoic acid, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, methyl ester, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 63979-19-1

System Generated Number

  • 0063979191

Molecular Formulas

Molecular Formula

  • C20-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO2.ClH/c1-21(2)18-13-14-20(19(22)23-3,15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;/h4-12,18H,13-14H2,1-3H3;1H/t18?,20-;/m1./s1

InChIKey

MGJBHISEQPOUJP-MLVYHOMMSA-N

Smiles

c12[C@@](c3ccccc3)(CC[C@@H](c1cccc2)[NH+](C)C)C(OC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 459, 1974.