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Balsalazide disodium

CAT: 0607-C6459-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C6459-10Size:10 mg
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CAS Number
150399-21-6
Product Name Alternative
sodium (E)-5-((4-((2-carboxylatoethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoate dihydrate
Purity
0.98
Solubility
≥87mg/mL in DMSO;≥87mg/mL in H2O;Insoluble in Ethanol
Smiles
OC1=CC=C(/N=N/C2=CC=C(C(NCCC([O-])=O)=O)C=C2)C=C1C([O-])=O.[Na+].[Na+].O.O
Molecular Formula
C17H17N3Na2O8
Molecular Weight
437.31
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Colazal

Balsalazide disodium is the dihydrate of the disodium salt of balsalazide. A prodrug, releasing the anti-inflammatory 5-aminosalicylic acid (mesalazine) in the large intestine, it is used in the treatment of ulcerative colitis. It has a role as a non-steroidal anti-inflammatory drug, an anti-ulcer drug and a gastrointestinal drug. It is a hydrate and an organic sodium salt. It contains a balsalazide(2-). It is functionally related to a balsalazide.

CAS Number150399-21-6
PubChem CID135414247
IUPAC Namedisodium;3-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]benzoyl]amino]propanoate;dihydrate
Molecular FormulaC17H17N3Na2O8
Molecular Weight437.3
Topological Polar Surface Area156
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity539
SMILES
C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.O.O.[Na+].[Na+]
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;;;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2/q;2*+1;;/p-2
InChIKey
XDCNKOBSQURQOZ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Colazal
CAS: 150399-21-6
CID: 135414247
Formula: C17H17N3Na2O8
MW: 437.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass437.08110307
Monoisotopic Mass437.08110307
Topological Polar Surface Area156 Ų
Heavy Atom Count30
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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