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CAS No.: | 213594-60-6 |
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Name: | Balsalazide disodium |
Molecular Structure: | |
Formula: | C17H15N3O6.2Na |
Molecular Weight: | 401.28 |
Synonyms: | Balsalazide sodium;Colazal;UNII-15ASW03C9S;Benzoic acid, 5-((1E)-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt;AC1O6Q0Y;Disodium 5-[(E)-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoate;5-((4-(((2-Carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid disodium salt; |
PSA: | 150.82000 |
LogP: | -1.39660 |
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The Benzoic acid,5-[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy-,sodium salt (1:2) with CAS registry number of 213594-60-6 is also known as Balsalazide disodium. The systematic name is Disodium 5-[(E)-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoate. In addition, the formula is C17H15N3O6.2Na and the molecular weight is 401.28.
Physical properties about Benzoic acid,5-[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-hydroxy-,sodium salt (1:2) are: (1)#H bond acceptors: 9; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 154.31Å2.
You can still convert the following datas into molecular structure:
1. SMILES: [Na+].[Na+].O=C([O-])c1cc(ccc1O)/N=N/c2ccc(cc2)C(=O)NCCC([O-])=O
2. InChI: InChI=1/C17H15N3O6.2Na/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;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2/b20-19+;;
3. InChIKey: CKMOQBVBEGCJGW-JGGVBICHBQ
4. Std. InChI: InChI=1S/C17H15N3O6.2Na/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;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2/b20-19+;;
5. Std. InChIKey: CKMOQBVBEGCJGW-LLIZZRELSA-L