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Substance Name: 1-Naphthaleneacetic acid, alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-, hydrochloride
RN: 6680-30-4
InChIKey: BEXXJRJGDYLPNM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O2.Cl-H

Molecular Weight

  • 349.899
 
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Names and Synonyms

Synonym

  • alpha-sec-Butyl-alpha-(2-(dimethylamino)ethyl)-1-naphthaleneacetic acid hydrochloride

Systematic Name

  • 1-Naphthaleneacetic acid, alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 6680-30-4

System Generated Number

  • 0006680304

Molecular Formulas

Molecular Formula

  • C20-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO2.ClH/c1-5-15(2)20(19(22)23,13-14-21(3)4)18-12-8-10-16-9-6-7-11-17(16)18;/h6-12,15H,5,13-14H2,1-4H3,(H,22,23);1H

InChIKey

BEXXJRJGDYLPNM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 9, Pg. 603, 1966.