2-O-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl] Balsalazide - CAS 1346606-62-9

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Catalog Number: R052893

CAS Number: 1346606-62-9

PubChem Substance ID:355097479

Molecular Formula: C27H24N4O9

Molecular Weight:548.508

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms5-[(1E)-2-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]diazenyl]-2-[[(2-carboxyethyl)amino]carbonyl]phenoxy]benzoic Acid; ?(E)-2-[4-(2-Carboxyethylcarbamoyl)phenoxy]-5-[[4-(2-carboxyethylcarbamoyl)]phenylazo]benzoic Acid; Balsalazide USP Impurity 4;

Property

Molecular Formula: C27H24N4O9
Molecular Weight548.508
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name2-[4-(2-carboxyethylcarbamoyl)phenoxy]-5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]benzoic acid
InChIInChI=1S/C27H24N4O9/c32-23(33)11-13-28-25(36)16-1-5-18(6-2-16)30-31-19-7-10-22(21(15-19)27(38)39)40-20-8-3-17(4-9-20)26(37)29-14-12-24(34)35/h1-10,15H,11-14H2,(H,28,36)(H,29,37)(H,32,33)(H,34,35)(H,38,39)
InChIKeyBXJNXRKWSCKIFA-UHFFFAOYSA-N
SMILESC1=CC(=CC=C1C(=O)NCCC(=O)O)N=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)O