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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO3
Molecular Weight 219.2365
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of De(chlorobenzoyl)indomethacin

SMILES

COC1=CC=C2NC(C)=C(CC(O)=O)C2=C1

InChI

InChIKey=TXWGINUZLBAKDF-UHFFFAOYSA-N
InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)

HIDE SMILES / InChI
Molecular Formula C12H13NO3
Molecular Weight 219.2365
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:38 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:38 GMT 2023
Record UNII
KY9AD0AQM0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEACYL INDOMETHACIN
Preferred Name English
De(chlorobenzoyl)indomethacin
Systematic Name English
INDOMETHACIN RELATED COMPOUND A [USP IMPURITY]
Common Name English
NSC-97026
Code English
2-(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETIC ACID
Systematic Name English
1H-INDOLE-3-ACETIC ACID, 5-METHOXY-2-METHYL-
Systematic Name English
DEACYL INDOMETHACIN [USP IMPURITY]
Common Name English
INDOMETHACIN RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
KY9AD0AQM0
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
NSC
97026
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID00183009
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
RS_ITEM_NUM
1417113
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
PUBCHEM
76151
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-734-7
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
CAS
2882-15-7
Created by admin on Sat Dec 16 11:19:38 GMT 2023 , Edited by admin on Sat Dec 16 11:19:38 GMT 2023
PRIMARY
Related Record Type Details
Structure of INDOMETHACIN SODIUM
PARENT -> IMPURITY
The sum of the percentages of indomethacin related compound A and indomethacin related compound B is NMT 0.2%.
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of INDOMETHACIN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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