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Molecular Structure of Salinazid (CAS NO.495-84-1):
IUPAC Name: N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-4-carbohydrazide
Empirical Formula: C13H11N3O2
Molecular Weight: 241.2453
ACD/LogP: 1.69
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2
ACD/LogD (pH 7.4): 2
ACD/BCF (pH 5.5): 40
ACD/BCF (pH 7.4): 36
ACD/KOC (pH 5.5): 488
ACD/KOC (pH 7.4): 440
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 74.58 Å2
Index of Refraction: 1.623
Molar Refractivity: 68.225 cm3
Molar Volume: 193.593 cm3
Surface Tension: 50.983 dyne/cm
Density: 1.246 g/cm3
InChI
InChI=1/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
Smiles
c1(c(cccc1)O)\C=N\NC(c1ccncc1)=O
Classification Code: Drug / Therapeutic Agent
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 20mg/kg (20mg/kg) | Antibiotics Annual. Vol. 2, Pg. 442, 1954/1955. | |
rat | LDLo | oral | 1gm/kg (1000mg/kg) | Journal of Pharmaceutical Sciences. Vol. 53, Pg. 1036, 1964. |
Salinazid , with CAS number of 495-84-1, can be called o-Oxyberon ; o-Hydroxybenzaldehyde isonicotinoylhydrazone ; o-Hydroxybenzal isonicotinylhydrazone ; Salizide ; Saliniazidum ; Salicylaldehyde isonicotinoylhydrazone ; Salicylaldehyde 4-pyridinecarboxylic acid hydrazone ; Pyridine carboxylic acid salicylalhydrazide ; N-Isonicotinoyl-N'-(salicylidene)hydrazine ; N'-o-Hydroxybenzylidenepyridine-4-carboxyhydrazide ; Isonicotinic acid, 2-hydroxybenzylidenehydrazide ; 4-Pyridinecarboxylic acid, ((2-hydroxyphenyl)methylene)hydrazide ; 1-Isonicotinoyl-2-salicylidenehydrazine .