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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21N3O6
Molecular Weight 399.3972
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-5-((4-(((3-ISOPROPOXY-3-OXOPROPYL)AMINO)CARBONYL)PHENYL)AZO)BENZOIC ACID, (E)-

SMILES

CC(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C2=CC=C(O)C(=C2)C(O)=O

InChI

InChIKey=XSIWYAAWJFZDML-GHVJWSGMSA-N
InChI=1S/C20H21N3O6/c1-12(2)29-18(25)9-10-21-19(26)13-3-5-14(6-4-13)22-23-15-7-8-17(24)16(11-15)20(27)28/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,26)(H,27,28)/b23-22+

HIDE SMILES / InChI

Molecular Formula C20H21N3O6
Molecular Weight 399.3972
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 06:29:49 UTC 2023
Edited
by admin
on Sat Dec 16 06:29:49 UTC 2023
Record UNII
WK3V0374YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-5-((4-(((3-ISOPROPOXY-3-OXOPROPYL)AMINO)CARBONYL)PHENYL)AZO)BENZOIC ACID, (E)-
Common Name English
(E)-2-HYDROXY-5-((4-(((3-ISOPROPOXY-3-OXOPROPYL)AMINO)CARBONYL)PHENYL)AZO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-HYDROXY-5-(2-(4-(((3-(1-METHYLETHOXY)-3-OXOPROPYL)AMINO)CARBONYL)PHENYL)DIAZENYL)-
Common Name English
BALSALAZIDE IMPURITY 5 [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
71587984
Created by admin on Sat Dec 16 06:29:49 UTC 2023 , Edited by admin on Sat Dec 16 06:29:49 UTC 2023
PRIMARY
FDA UNII
WK3V0374YQ
Created by admin on Sat Dec 16 06:29:49 UTC 2023 , Edited by admin on Sat Dec 16 06:29:49 UTC 2023
PRIMARY
CAS
1346606-13-0
Created by admin on Sat Dec 16 06:29:49 UTC 2023 , Edited by admin on Sat Dec 16 06:29:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP