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Details

Stereochemistry ACHIRAL
Molecular Formula C23H20ClNO8
Molecular Weight 473.86
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(CARBOXYMETHOXY)-2-OXOETHYL ESTER

SMILES

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

InChI

InChIKey=GTRKDHSTYCPSAB-UHFFFAOYSA-N
InChI=1S/C23H20ClNO8/c1-13-17(10-21(28)33-12-22(29)32-11-20(26)27)18-9-16(31-2)7-8-19(18)25(13)23(30)14-3-5-15(24)6-4-14/h3-9H,10-12H2,1-2H3,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C23H20ClNO8
Molecular Weight 473.86
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 14:19:06 UTC 2023
Edited
by admin
on Sat Dec 16 14:19:06 UTC 2023
Record UNII
YOQ76X9SXK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(CARBOXYMETHOXY)-2-OXOETHYL ESTER
Systematic Name English
(((((1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL)OXY)ACETYL)OXY)ACETIC ACID
Systematic Name English
ACEMETACIN IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
12658375
Created by admin on Sat Dec 16 14:19:06 UTC 2023 , Edited by admin on Sat Dec 16 14:19:06 UTC 2023
PRIMARY
CAS
76812-49-2
Created by admin on Sat Dec 16 14:19:06 UTC 2023 , Edited by admin on Sat Dec 16 14:19:06 UTC 2023
PRIMARY
FDA UNII
YOQ76X9SXK
Created by admin on Sat Dec 16 14:19:06 UTC 2023 , Edited by admin on Sat Dec 16 14:19:06 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 F = 1.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP