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Basic Information
CAS No.: 34200-96-9
Name: 2-(1,4-dihydroxyheptylidene)cyclopentane-1,3-dione
Molecular Structure:
Molecular Structure of 34200-96-9 (2-(1,4-dihydroxyheptylidene)cyclopentane-1,3-dione)
Formula: C12H18O4•Na
Molecular Weight: 249.29
Density: 1.223g/cm3
Boiling Point: 414°C at 760 mmHg
Flash Point: 218.3°C
Safety: Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Na2O. See also OUDENONE.
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Chemistry

Product Name: Oudenone-sodium salt (CAS NO.34200-96-9)


Molecular Formula: C12H18O4•Na
Molecular Weight: 249.29g/mol
Mol File: 34200-96-9.mol
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Oudenone-sodium salt (CAS NO.34200-96-9):
  IUPAC Name: 2-(1,4-dihydroxyheptylidene)cyclopentane-1,3-dione; sodium
  Canonical SMILES: CCCC(CCC(=C1C(=O)CCC1=O)O)O.[Na]
  InChI: InChI=1S/C12H18O4.Na/c1-2-3-8(13)4-5-9(14)12-10(15)6-7-11(12)16;/h8,13-14H,2-7H2,1H3; 
  InChIKey: RCIYOGDLUDNJNM-UHFFFAOYSA-N

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of Na2O. See also OUDENONE.

Specification

 Oudenone-sodium salt , its CAS NO. is 34200-96-9, the synonyms are  NSC 360334 ; 1-Heptanone, 4-hydroxy-1-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-, monosodium salt .