5-HYDROXYINDOMETHACIN

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 Search

SMILES

CC1=C(CC(O)=O)C2=C(C=CC(O)=C2)N1C(=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 `Tue Apr 01 20:48:55 GMT 2025` Edited by `admin` on `Tue Apr 01 20:48:55 GMT 2025`
Record UNII	K89VS3UAD8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESMETHYLINDOMETHACIN

Preferred Name

English

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

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 Tue Apr 01 20:48:55 GMT 2025 , Edited by admin on Tue Apr 01 20:48:55 GMT 2025

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CAS

2504-32-7

Created by admin on Tue Apr 01 20:48:55 GMT 2025 , Edited by admin on Tue Apr 01 20:48:55 GMT 2025

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EPA CompTox

DTXSID60179746

Created by admin on Tue Apr 01 20:48:55 GMT 2025 , Edited by admin on Tue Apr 01 20:48:55 GMT 2025

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PUBCHEM

159665

Created by admin on Tue Apr 01 20:48:55 GMT 2025 , Edited by admin on Tue Apr 01 20:48:55 GMT 2025

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Related Record Type Details


					XXE1CET956

INDOMETHACIN

PARENT -> METABOLITE

Amount: