Indomethacin

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Systematic / IUPAC Name: 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

ID: Reference451

Other Names: Inflazon;
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-;
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid;
Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-;
α-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid ; more

Formula: C19H16ClNO4

Class: Therapeutics/Prescription Drugs

Spectral Data

Indomethacin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 429
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 1/21/2015 2:40:19 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChI Key CGIGDMFJXJATDK-UHFFFAOYSA-N
Canonical SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
CAS 53861
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Other Names Inflazon;
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-;
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid;
Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-;
α-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid;
N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid;
(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid;
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid;
[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid;
2-{1-[(4-Chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid;
1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid;
Indocin;
Metindol;
Indocid;
Amuno;
Imbrilon;
Indometacine;
Mikametan;
Reumacide;
Indacin;
Indomed;
Tannex;
Idomethine;
Indomethacine;
Artracin;
Artrinovo;
Artrivia;
Confortid;
Dolovin;
Indomecol;
Indomee;
Indoptic;
Indoptol;
Infrocin;
Metacen;
Metartril;
Methazine;
Mobilan;
Sadoreum;
Inacid;
Lausit;
Indo-rectolmin;
Arthrexin;
Elmetacin;
Indoxen;
Mezolin;
Indo-lemmon;
Durametacin;
Indmethacine;
Bonidon;
Dolcidium;
Indameth;
Indorektal;
Catlep;
Indomo;
Flexin continus;
Hicin;
Vonum;
Bonidon gel;
Dolcidium PL;
Rheumacin LA;
Indomethancin;
Indomethine;
Bonidin;
Indomod;
Miametan

In Other Databases

HMDb HMDB14473
ChEBI CHEBI:49662
Wikipedia Indometacin
DrugBank APRD00109
ChemIDPlus 000053861; 007681541; 036798160; 057596119; 081246664; 147236053; 036218209
KEGG C01926; D00141
PubChem 3715
ChemSpider 3584
ChEMBL CHEMBL6