DUOMETACIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H19NO5
Molecular Weight	353.3686
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DUOMETACIN

Structure Search

SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C)N(CC(O)=O)C3=CC(OC)=CC=C23

InChI

InChIKey=NWNBRKHCXIQLDT-UHFFFAOYSA-N

InChI=1S/C20H19NO5/c1-12-19(20(24)13-4-6-14(25-2)7-5-13)16-9-8-15(26-3)10-17(16)21(12)11-18(22)23/h4-10H,11H2,1-3H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C20H19NO5
Molecular Weight	353.3686
Charge	0
Count

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

Description
Sources: https://apps.who.int/iris/bitstream/handle/10665/67830/WHO_EDM_QSM_2003.2.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 474, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ

Duometacin is indomethacin derivative. It was developed as analgesic and anti-inflammatory agent.

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
inflammatory response 47 Target ID: GO:0006954 Sources: https://www.netdoc.com/Dictionary/Medical-Dictionary/Duometacin/\|http://apps.who.int/medicinedocs/en/d/Js4895e/6.html	Inhibitor 8297

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:38:21 GMT 2023` Edited by `admin` on `Fri Dec 15 16:38:21 GMT 2023`
Record UNII	L5WVJ201KN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUOMETACIN

Official Name

English

R-4444

Code

English

R 4444

Code

English

duometacin [INN]

Common Name

English

3-(P-ANISOYL)-6-METHOXY-2-METHYLINDOLE-1-ACETIC ACID

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

Code System Code Type Description

EVMPD

SUB06427MIG

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

PRIMARY

SMS_ID

100000080478

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

PRIMARY

EPA CompTox

DTXSID10180443

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

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NCI_THESAURUS

C65498

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

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PUBCHEM

71912

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

PRIMARY

INN

3139

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

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FDA UNII

L5WVJ201KN

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

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CAS

25771-23-7

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

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ChEMBL

CHEMBL2106358

Created by admin on Fri Dec 15 16:38:21 GMT 2023 , Edited by admin on Fri Dec 15 16:38:21 GMT 2023

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					L5WVJ201KN

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