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CAS No.: | 51460-26-5 |
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Name: | Carbazochrome sodium sulfonate |
Molecular Structure: | |
Formula: | C10H11N4NaO5S |
Molecular Weight: | 376.36 |
Synonyms: | 1H-Indole-2-sulfonicacid, 5-[(aminocarbonyl)hydrazono]-2,3,5,6-tetrahydro-1-methyl-6-oxo-,monosodium salt (9CI);2-Indolinesulfonic acid,5,6-dihydro-1-methyl-5,6-dioxo-, 5-semicarbazone, sodium salt (7CI);AC 17;Adenaron;Adona;Adrenochrome sulfonate Ac 17;Carbazon;Donaseven;Emex;Odanon;Tazin; |
EINECS: | 257-217-0 |
Melting Point: | approximate 210℃(dec.) |
Appearance: | Orange yellow crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | R22; R52/53 |
PSA: | 181.06000 |
LogP: | 0.52750 |
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The Adona trihydrate is an organic compound with the formula C10H11N4NaO5S. The IUPAC name of this chemical is sodium (5Z)-5-(carbamoylhydrazinylidene)-1-methyl-6-oxo-2,3-dihydroindole-2-sulfonate. With the CAS registry number 51460-26-5, it is also named as Sodium 5-(carbamoylhydrazono)-2,3,5,6-tetrahydro-1-methyl-6-oxo-1H-indole-2-sulphonate. The product's category is Miscellaneous. Besides, it should be stored in a closed cool and dry place. It is a blood system drug, which use to stop bleeding.
Physical properties about Adona trihydrate are: (1)#H bond acceptors: 9; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 153.37 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].NC(=O)NN=C1\C=C2\CC(N(C)C2=CC1=O)S([O-])(=O)=O
(2)InChI: InChI=1/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1
(3)InChIKey: HLFCZZKCHVSOAP-REWHXWOFAX
(4)Std. InChI: InChI=1S/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1
(5)Std. InChIKey: HLFCZZKCHVSOAP-UHFFFAOYSA-M
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | > 600mg/kg (600mg/kg) | Drugs in Japan Vol. 6, Pg. 183, 1982. | |
dog | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 331, 1995. | |
mouse | LD50 | intraperitoneal | 1600mg/kg (1600mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967. | |
mouse | LD50 | intravenous | > 600mg/kg (600mg/kg) | Drugs in Japan Vol. 6, Pg. 183, 1982. | |
mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. 6, Pg. 183, 1982. | |
mouse | LD50 | subcutaneous | > 1gm/kg (1000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967. | |
rat | LD50 | intravenous | > 600mg/kg (600mg/kg) | Drugs in Japan Vol. -, Pg. 331, 1995. | |
rat | LD50 | oral | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. -, Pg. 331, 1995. |