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| CAS No.: | 150399-21-6 |
|---|---|
| Name: | Balsalazide disodium |
| Molecular Structure: | |
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| Formula: | C17H17N3Na2O8 |
| Molecular Weight: | 437.31 |
| Synonyms: | (E)-5-[[4-[[(2-Carboxyethyl)amino]-carbonyl]phenyl]azo-2-hydroxy-benzoic acid disodium salt;Balsalazide disodium hydrate; |
| EINECS: | 1533716-785-6 |
| Appearance: | yellow to orange crystalline powder |
| PSA: | 172.77000 |
| LogP: | 0.30320 |
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Specification
The Balsalazide disodium hydrate, with the CAS registry number 150399-21-6, is also known as (E)-5-((p-((2-Carboxyethyl)carbamoyl)phenyl)azo)salicylic acid, disodium salt, dihydrate. It belongs to the product category of Intermediates. This chemical's molecular formula is C17H17N3Na2O8 and molecular weight is 437.31172. Its IUPAC name is called disodium (3Z)-3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate. What's more, this chemical's classification code is Anti-inflammatory [gastrointestinal].
Physical properties of Balsalazide disodium hydrate: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): -3.57; (3)ACD/LogD (pH 7.4): -3.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])NN=C2C=CC(=O)C(=C2)C(=O)[O-].O.O.[Na+].[Na+]
(2)Isomeric SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-].O.O.[Na+].[Na+]
(3)InChI: InChI=1S/C17H15N3O6.2Na.2H2O/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;;;/h1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2/q;2*+1;;/p-2/b20-12-
(4)InChIKey: HYSVUPBQPCRAJM-PIFVRXTCSA-L