ChemicalBook--->CAS DataBase List--->859964-08-2

859964-08-2

859964-08-2 Structure

859964-08-2 Structure
IdentificationBack Directory
[Name]

1,3-Benzenedicarboxylic acid, 5-amino-2-hydroxy-
[CAS]

859964-08-2
[Synonyms]

Mesalazine Impurity 1
Mesalazine Impurity 31
Mesalamine Impurity 10
LZWQHDDDGHXOEL-UHFFFAOYSA-N
Mesalazine-3-carboxylic Acid
5-Amino-2-hydroxyisophthalic Acid
5-amino-2-hydroxybenzene-1,3-dicarboxylic acid
1,3-Benzenedicarboxylic acid, 5-amino-2-hydroxy-
[Molecular Formula]

C8H7NO5
[MDL Number]

MFCD20652577
[MOL File]

859964-08-2.mol
[Molecular Weight]

197.14
Chemical PropertiesBack Directory
[Boiling point ]

511.2±50.0 °C(Predicted)
[density ]

1.711±0.06 g/cm3(Predicted)
[pka]

0.99±0.14(Predicted)
[InChI]

InChI=1S/C8H7NO5/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,10H,9H2,(H,11,12)(H,13,14)
[InChIKey]

LZWQHDDDGHXOEL-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC(N)=CC(C(O)=O)=C1O
Hazard InformationBack Directory
[Uses]

Mesalazine-3-carboxylic Acid is an impurity of Mesalazine (M258100), the active metabolite of Sulfasalazine (S699084). Anti-inflammatory (gastrointestinal).
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