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Substance Name: 1-Heptanone, 4-hydroxy-1-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-, monosodium salt
RN: 34200-96-9
InChIKey: WRPLZDINJBYFLM-UHFFFAOYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C12-H18-O4.Na

Molecular Weight

  • 248.252
 
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Names and Synonyms

Synonyms

  • NSC 360334
  • Oudenone-sodium salt

Systematic Name

  • 1-Heptanone, 4-hydroxy-1-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 34200-96-9

System Generated Number

  • 0034200969

Molecular Formulas

Molecular Formula

  • C12-H18-O4.Na

Molecular Formula Fragments

  • C12-H18-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18O4.Na/c1-2-3-8(13)4-5-9(14)12-10(15)6-7-11(12)16;/h8,13,15H,2-7H2,1H3;/q;+1/p-1

InChIKey

WRPLZDINJBYFLM-UHFFFAOYSA-M

Smiles

C=1(C(CCC1[O-])=O)C(CC[C@@H](CCC)O)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1850mg/kg (1850mg/kg)   Journal of Antibiotics. Vol. 23, Pg. 514, 1970.
mouse LD50 intravenous 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 23, Pg. 514, 1970.
mouse LD50 oral 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 23, Pg. 514, 1970.