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Substance Name: 1-Naphthaleneacetic acid, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-, hydrochloride
RN: 6683-14-3
InChIKey: QCCNMOSNNRDEKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N-O2.Cl-H

Molecular Weight

  • 363.926
 
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Names and Synonyms

Synonyms

  • alpha-(4-(Dimethylamino)butyl)-alpha-isopropyl-1-naphthaleneacetic acid hydrochloride
  • alpha-Isopropyl-alpha-(4-dimethylaminobutyl)-1-naphthylacetic acid hydrochloride
  • Hexanoic acid, 6-(dimethylamino)-2-isopropyl-2-(1-naphthyl)-, hydrochloride

Systematic Name

  • 1-Naphthaleneacetic acid, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 6683-14-3

System Generated Number

  • 0006683143

Molecular Formulas

Molecular Formula

  • C21-H29-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H29-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NO2.ClH/c1-16(2)21(20(23)24,14-7-8-15-22(3)4)19-13-9-11-17-10-5-6-12-18(17)19;/h5-6,9-13,16H,7-8,14-15H2,1-4H3,(H,23,24);1H

InChIKey

QCCNMOSNNRDEKG-UHFFFAOYSA-N

Smiles

c1([C@@](CCCC[NH+](C)C)(C(C)C)C(O)=O)c2c(ccc1)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 786, 1966.