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Details

Stereochemistry ACHIRAL
Molecular Formula C27H24N4O9
Molecular Weight 548.5009
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(2-CARBOXYETHYLCARBAMOYL)PHENOXY)-5-((4-(2-CARBOXYETHYL-CARBAMOYL))PHENYLAZO(BENZOIC ACID, (E)-

SMILES

OC(=O)CCNC(=O)C1=CC=C(OC2=CC=C(C=C2C(O)=O)\N=N\C3=CC=C(C=C3)C(=O)NCCC(O)=O)C=C1

InChI

InChIKey=BXJNXRKWSCKIFA-NVQSTNCTSA-N
InChI=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)/b31-30+

HIDE SMILES / InChI

Molecular Formula C27H24N4O9
Molecular Weight 548.5009
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:34:15 UTC 2023
Edited
by admin
on Sat Dec 16 07:34:15 UTC 2023
Record UNII
8GL1USB1V3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(2-CARBOXYETHYLCARBAMOYL)PHENOXY)-5-((4-(2-CARBOXYETHYL-CARBAMOYL))PHENYLAZO(BENZOIC ACID, (E)-
Common Name English
(E)-2-(4-(2-CARBOXYETHYLCARBAMOYL)PHENOXY)-5-((4-(2-CARBOXYETHYL-CARBAMOYL))PHENYLAZO(-BENZOIC ACID
Common Name English
BALSALAZIDE IMPURITY 4 [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1346606-62-9
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID00158858
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
PUBCHEM
71314535
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
FDA UNII
8GL1USB1V3
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP