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| CAS No.: | 495-84-1 |
|---|---|
| Name: | 2-ISOPROPYLTHIOXANTHONE |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C13H11 N3 O2 |
| Molecular Weight: | 241.249 |
| Synonyms: | 4-Pyridinecarboxylicacid, [(2-hydroxyphenyl)methylene]hydrazide (9CI); Isonicotinic acid, salicylidenehydrazide(6CI,7CI,8CI); Hydrazine, 1-isonicotinoyl-2-salicylidene- (6CI);1-Isonicotinoyl-2-salicylidenehydrazine; INSH;N-Isonicotinamidosalicylaldimine; N-Isonicotinoyl-N'-(salicylidene)hydrazine;NSC 33760; Neobicina Salicilica; Nilazid; Nupasal; Nupasal 213; Phthisosan;SAH; SIH; Salicylaldehyde 4-pyridinecarboxylic acid hydrazone; Salicylaldehydeisonicotinoylhydrazone; Salicylidene isonicotinoylhydrazone; Salinazid;Salizid; Salizide; o-Hydroxybenzal isonicotinylhydrazone; o-Hydroxybenzaldehydeisonicotinoylhydrazone; o-Oxyberon |
| Density: | 1.24 g/cm3 |
| Melting Point: | 232-233ºC |
| Boiling Point: | 401.8°Cat760mmHg |
| Flash Point: | 196.8°C |
| Solubility: | Soly at 25° in 100 ml water: 0.005 g; in 100 ml abs ethanol: 0.18 g; in 100 ml propylene glycol: 0.212 g. Sol in dil aq acids and alkalies forming a yellow soln |
| PSA: | 74.58000 |
| LogP: | 1.94200 |
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Chemistry
Molecular Structure of Salinazid (CAS NO.495-84-1):
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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
Toxicity Data With Reference
| 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. |
Specification
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 .