U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H17Cl2NO6
Molecular Weight 450.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (((1-(3,4-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL)OXY)ACETIC ACID

SMILES

COC1=CC2=C(C=C1)N(C(=O)C3=CC=C(Cl)C(Cl)=C3)C(C)=C2CC(=O)OCC(O)=O

InChI

InChIKey=VYSUQWRDPGVRJD-UHFFFAOYSA-N
InChI=1S/C21H17Cl2NO6/c1-11-14(9-20(27)30-10-19(25)26)15-8-13(29-2)4-6-18(15)24(11)21(28)12-3-5-16(22)17(23)7-12/h3-8H,9-10H2,1-2H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C21H17Cl2NO6
Molecular Weight 450.269
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:19:08 UTC 2023
Edited
by admin
on Sat Dec 16 14:19:08 UTC 2023
Record UNII
E4ZXP7S6W4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(((1-(3,4-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL)OXY)ACETIC ACID
Systematic Name English
ACEMETACIN IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
E4ZXP7S6W4
Created by admin on Sat Dec 16 14:19:08 UTC 2023 , Edited by admin on Sat Dec 16 14:19:08 UTC 2023
PRIMARY
PUBCHEM
137331959
Created by admin on Sat Dec 16 14:19:08 UTC 2023 , Edited by admin on Sat Dec 16 14:19:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity C = 1.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP