Product Name: Primocarcin (CAS NO.3750-26-3)
Molecular Formula: C8H12N2O3
Molecular Weight: 184.22g/mol
Mol File: 3750-26-3.mol
Boiling point: 544.5 °C at 760 mmHg
Flash Point: 283.1 °C
Density: 1.155 g/cm3
Surface Tension: 42.9 dyne/cm
Enthalpy of Vaporization: 82.31 kJ/mol
Vapour Pressure: 6.47E-12 mmHg at 25°C
XLogP3-AA: -1.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Primocarcin (CAS NO.3750-26-3):
IUPAC Name: 5-acetamido-4-oxohex-5-enamide
Canonical SMILES: CC(=O)NC(=C)C(=O)CCC(=O)N
InChI: InChI=1S/C8H12N2O3/c1-5(10-6(2)11)7(12)3-4-8(9)13/h1,3-4H2,2H3,(H2,9,13)(H,10,11)
InChIKey: DVMKENULKFKEFR-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 55500ug/kg (55.5mg/kg) | Journal of Antibiotics, Series A. Vol. 15, Pg. 250, 1962. | |
mouse | LD50 | intravenous | 300mg/kg (300mg/kg) | Journal of Antibiotics, Series A. Vol. 15, Pg. 77, 1962. |
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Primocarcin ,its CAS NO. is 3750-26-3,the synonyms is 4-Acetamido-4-penten-3-one-1-carboxamide ; 5-(Acetylamino)-4-oxo-5-hexenamide ; BRN 2415620 ; NSC 525602 ; 5-Hexenamide, 5-(acetylamino)-4-oxo- (9CI) .
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