- Carbazochrome
- Carbazochrome sodium sulfonate
- Carbazochrome sodium sulfonate
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| Name |
Carbazochrome sodium sulfonate |
EINECS | 235-927-1 |
| CAS No. | 13051-01-9 | Density | g/cm3 |
| PSA | 153.37000 | LogP | 0.72040 |
| Solubility | N/A | Melting Point |
196-197.5° (dec) |
| Formula | C17H17N4NaO6 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 396.3298 | Flash Point | °C |
| Transport Information | N/A | Appearance | White crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-METHYL-6-OXO-2,3,5,6-TETRAHYDROINDOLE-5-SEMICARBAZONO-2-SULFONIC ACID SODIUM SALT 3 HYDRATE;CARBAZOCHROME SODIUM SULFONATE TRIHYDRATE;CARBAZOCHROME SALICYLATE;CARBAZOCHROME SODIUM;adrenochromemonosemicarbazonesodiumsalicylatecomplex;adrenosem;adrenosemsalicylate;adrestat-f |
Carbazochrome sodium sulfonate Chemical Properties
Molecular Formula of Carbazochrome sodium sulfonate (CAS NO.13051-01-9): C17H17N4NaO6
Molar mass: 396.3298 g/mol
Nominal Mass: 396 Da
Average Mass: 396.3298 Da
Monoisotopic Mass: 396.104579 Da
EINECS: 257-217-0
Structure of Carbazochrome sodium sulfonate (CAS NO.13051-01-9):
H-Bond Donor: 4
H-Bond Acceptor: 8
IUPAC Name of Carbazochrome sodium sulfonate (CAS NO.13051-01-9): Sodium; 2-hydroxybenzoate; [(3-hydroxy-1-methyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea
SMILES: [Na+].[O-]C(=O)c1ccccc1O.O=C(N)N/N=C1\C=C2/C(=C\C1=O)N(CC2O)C
InChI: InChI=1/C10H12N4O3.C7H6O3.Na/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14;8-6-4-2-1-3-5(6)7(9)10;/h2-3,9,16H,4H2,1H3,(H3,11,13,17);1-4,8H,(H,9,10);/q;;+1/p-1/b12-6+;;
InChIKey: CELKBRMLNUNCIP-MRHUNDFWBE
Std. InChI: InChI=1S/C10H12N4O3.C7H6O3.Na/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14;8-6-4-2-1-3-5(6)7(9)10;/h2-3,9,16H,4H2,1H3,(H3,11,13,17);1-4,8H,(H,9,10);/q;;+1/p-1/b12-6+;;
Std. InChIKey: CELKBRMLNUNCIP-HTFHIHPASA-M
Carbazochrome sodium sulfonate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | National Technical Information Service. Vol. AD277-689, |
Carbazochrome sodium sulfonate Specification
Carbazochrome sodium sulfonate ,its cas register number is 13051-01-9.It also can be called Carbazochromi salicylas ; Salicylic acid, adrenosem ; Adrenosem salicylate and Adenochrome semicarbazone, mixture with sodium salicylate .
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