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