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Substance Name: 5-Hexenoic acid, 3-hydroxy-3-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, sodium salt
RN: 57272-30-7
InChIKey: VTCVATKFSHPEJO-IPZCTEOASA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-O3.Na

Molecular Weight

  • 274.334
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-2-methyl-5(2',2',3'-trimethylcyclopenten-3'-yl)-pent-3-en-1-carboxylic acid sodium
  • 3-Cyclopentene-1-hex-5-enoic acid, beta-hydroxy-beta,2,2,3-tetramethyl-, sodium salt
  • Sodium 3-hydroxy-3-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-5-hexenoate

Systematic Name

  • 5-Hexenoic acid, 3-hydroxy-3-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 57272-30-7

System Generated Number

  • 0057272307

Molecular Formulas

Molecular Formula

  • C15-H23-O3.Na

Molecular Formula Fragments

  • C15-H23-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H24O3.Na/c1-11-7-8-12(14(11,2)3)6-5-9-15(4,18)10-13(16)17;/h5-7,12,18H,8-10H2,1-4H3,(H,16,17);/q;+1/p-1/b6-5+;

InChIKey

VTCVATKFSHPEJO-IPZCTEOASA-M

Smiles

C1([C@@H](CC=C1C)\C=C\C[C@@](CC(=O)[O-])(C)O)(C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 27, Pg. 399, 1975.