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Substance Name: 1-Naphthaleneacetic acid, alpha-(2'-pyranyl)methyl-, sodium salt
RN: 64038-74-0
InChIKey: XACLFEQIRWKYKU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-O3.Na

Molecular Weight

  • 302.303
 
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Names and Synonyms

Synonym

  • Sodium alpha-(2'-pyranyl)methyl-1-naphthaleneacetate

Systematic Name

  • 1-Naphthaleneacetic acid, alpha-(2'-pyranyl)methyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 64038-74-0

System Generated Number

  • 0064038740

Molecular Formulas

Molecular Formula

  • C18-H15-O3.Na

Molecular Formula Fragments

  • C18-H15-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H16O3.Na/c19-18(20)17(12-14-8-3-4-11-21-14)16-10-5-7-13-6-1-2-9-15(13)16;/h1-11,14,17H,12H2,(H,19,20);/q;+1/p-1

InChIKey

XACLFEQIRWKYKU-UHFFFAOYSA-M

Smiles

c1(c2c(ccc1)cccc2)[C@@H](C[C@@H]1C=CC=CO1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 598, 1965.