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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H14ClNO4
Molecular Weight 343.761
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYINDOMETHACIN

SMILES

CC1=C(CC(O)=O)C2=CC(O)=CC=C2N1C(=O)C3=CC=C(Cl)C=C3

InChI

InChIKey=KMLNWQPYFBIALN-UHFFFAOYSA-N
InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C18H14ClNO4
Molecular Weight 343.761
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 13:30:16 GMT 2023
Edited
by admin
on Sat Dec 16 13:30:16 GMT 2023
Record UNII
K89VS3UAD8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXYINDOMETHACIN
Common Name English
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-HYDROXY-2-METHYL-
Systematic Name English
1-(4-CHLOROBENZOYL)-5-HYDROXY-2-METHYL-1H-INDOLE-3-ACETIC ACID
Systematic Name English
DESMETHYLINDOMETHACIN
Common Name English
INDOLE-3-ACETIC ACID, 1-(P-CHLOROBENZOYL)-5-HYDROXY-2-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
K89VS3UAD8
Created by admin on Sat Dec 16 13:30:17 GMT 2023 , Edited by admin on Sat Dec 16 13:30:17 GMT 2023
PRIMARY
CAS
2504-32-7
Created by admin on Sat Dec 16 13:30:17 GMT 2023 , Edited by admin on Sat Dec 16 13:30:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID60179746
Created by admin on Sat Dec 16 13:30:17 GMT 2023 , Edited by admin on Sat Dec 16 13:30:17 GMT 2023
PRIMARY
PUBCHEM
159665
Created by admin on Sat Dec 16 13:30:17 GMT 2023 , Edited by admin on Sat Dec 16 13:30:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE