Indomethacin N-octyl amide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H33ClN2O3
Molecular Weight	469.016
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCNC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C3=CC=C(OC)C=C13

InChI

InChIKey=DBWILLAXKDUAPA-UHFFFAOYSA-N

InChI=1S/C27H33ClN2O3/c1-4-5-6-7-8-9-16-29-26(31)18-23-19(2)30(25-15-14-22(33-3)17-24(23)25)27(32)20-10-12-21(28)13-11-20/h10-15,17H,4-9,16,18H2,1-3H3,(H,29,31)

HIDE SMILES / InChI

Molecular Formula	C27H33ClN2O3
Molecular Weight	469.016
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Prostaglandin G/H synthase 2 51 Target ID: P35354 Gene ID: 5743.0 Gene Symbol: PTGS2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10956194	Inhibitor 8504		40.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:54:43 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:43 GMT 2025`
Record UNII	3B98TP8EKJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-N-octyl-1H-indole-3-acetamide

Preferred Name

English

Indomethacin N-octyl amide

Common Name

English

1H-Indole-3-acetamide, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-N-octyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

3B98TP8EKJ

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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PUBCHEM

9825900

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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CAS

282728-65-8

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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