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Balsalazide 25mg

CAT: 0628-A18128-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A18128-25Size:25 mg
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CAS Number
80573-04-2

Chemical Information

5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid

Balsalazide is a monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond. It has a role as a non-steroidal anti-inflammatory drug, an anti-ulcer drug, a prodrug and a gastrointestinal drug. It is a conjugate acid of a balsalazide(2-).

CAS Number80573-04-2
PubChem CID54585
IUPAC Name5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
Molecular FormulaC17H15N3O6
Molecular Weight357.32
XLogP2.2
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity545
SMILES
C1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C17H15N3O6/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)
InChIKey
IPOKCKJONYRRHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((4-((2-Carboxyethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoic acid
CAS: 80573-04-2
CID: 54585
Formula: C17H15N3O6
MW: 357.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight357.32
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass357.09608521
Monoisotopic Mass357.09608521
Topological Polar Surface Area149 Ų
Heavy Atom Count26
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes