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Substance Name: 1-Naphthaleneacetic acid, alpha-(but-2'-enyl)-, sodium salt
RN: 3459-45-8
InChIKey: SJDCEXAILSGDEQ-SQQVDAMQSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-O2.Na

Molecular Weight

  • 262.283
 
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Names and Synonyms

Synonyms

  • Acetic acid, 2-(2-butenyl)-2-(1-naphthyl)-, sodium salt
  • Sodium alpha-(but-2'-enyl)-1-naphthaleneacetate
  • Sodium alpha-(but-2-enyl)-1-naphaleneacetate

Systematic Name

  • 1-Naphthaleneacetic acid, alpha-(but-2'-enyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 3459-45-8

System Generated Number

  • 0003459458

Molecular Formulas

Molecular Formula

  • C16-H15-O2.Na

Molecular Formula Fragments

  • C16-H15-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H16O2.Na/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14;/h2-8,10-11,15H,9H2,1H3,(H,17,18);/q;+1/p-1/b3-2+;

InChIKey

SJDCEXAILSGDEQ-SQQVDAMQSA-M

Smiles

c1(c2c(ccc1)cccc2)[C@@H](C\C=C\C)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 598, 1965.