monomethyl fumarate (Q27087639)

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chemical compound

• Monomethyl fumarate

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Language	Label	Description	Also known as
English	monomethyl fumarate	chemical compound	Monomethyl fumarate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

fatty acid

0 references

chemical structure

Monomethyl fumarate skeletal.svg
512 × 284; 4 KB

0 references

mass

130.026609±0 dalton

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

3 October 2016

chemical formula

C₅H₆O₄

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

20 November 2016

canonical SMILES

COC(=O)C=CC(=O)O

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

20 November 2016

isomeric SMILES

COC(=O)/C=C/C(=O)O

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

20 November 2016

found in taxon

Fumaria indica

1 reference

stated in

Antihepatotoxic activity of monomethyl fumarate isolated from Fumaria indica

Rothmannia longiflora

2 references

stated in

4-Oxonicotinamide-1-(1′-β-?-ribofuranoside) from Rothmannia longiflora Salisb. (Rubiaceae)

stated in

4-Oxonicotinamide-1-(1′-β-?-ribofuranoside) from Rothmannia longiflora Salisb. (Rubiaceae)

Tagetes minuta

2 references

stated in

Antitumor Activity and Preliminary Phytochemical Examination of Tagetes minuta (Compositae)

stated in

Antitumor Activity and Preliminary Phytochemical Examination of Tagetes minuta (Compositae)

Maclura cochinchinensis

1 reference

stated in

Isolation and Identification of Constituents from Cudrania Javanensis

Amesia nigricolor

1 reference

stated in

Anti-inflammatory Metabolites from Chaetomium nigricolor

medical condition treated

multiple sclerosis

start time

26 March 2013

approved by

Food and Drug Administration

1 reference

stated in

Inxight: Drugs Database

retrieved

2 November 2018

reference URL

https://drugs.ncats.io/drug/45IUB1PX8R

https://www.accessdata.fda.gov/drugsatfda_docs/nda/2014/204063Orig1s010.pdf

Identifiers

InChI

InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

20 November 2016

InChIKey

NKHAVTQWNUWKEO-NSCUHMNNSA-N

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

20 November 2016

CAS Registry Number

2756-87-8

2 references

stated in

Global Substance Registration System

UNII

45IUB1PX8R

language of work or name

English

title

monomethyl fumarate (English)

retrieved

20 November 2016

InChIKey

NKHAVTQWNUWKEO-NSCUHMNNSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2756-87-8

ChemSpider ID

4520322

1 reference

stated in

ChemSpider

ChemSpider ID

4520322

language of work or name

English

title

Fumaric acid, monomethyl ester (English)

retrieved

20 November 2016

PubChem CID

5369209

1 reference

stated in

PubChem

PubChem CID

5369209

language of work or name

English

title

4-methoxy-4-oxobut-2-enoic acid (English)

retrieved

20 November 2016

ChEBI ID

167450

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

ChEMBL ID

CHEMBL589586

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL589586

language of work or name

English

title

METHYL FUMARATE (English)

retrieved

20 November 2016

UniChem compound ID

451980

1 reference

stated in

UniChem

NSC number

523835

0 references

EC number

220-412-6

1 reference

stated in

Global Substance Registration System

UNII

45IUB1PX8R

language of work or name

English

title

monomethyl fumarate (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.018.557

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.018.557

retrieved

27 December 2018

title

Methyl hydrogen fumarate (English)

quotation

CAS no.: 2756-87-8 (English)

Guide to Pharmacology Ligand ID

5786

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

5786

language of work or name

English

title

monomethylfumarate (English)

retrieved

20 November 2016

RxNorm ID

1546433

1 reference

stated in

Global Substance Registration System

UNII

45IUB1PX8R

language of work or name

English

title

monomethyl fumarate (English)

retrieved

20 November 2016

DrugBank ID

14219

1 reference

stated in

DrugBank

DrugBank ID

14219

retrieved

6 July 2021

quotation

CAS no.: 2756-87-8 (English)

title

Monomethyl fumarate (English)

KNApSAcK ID

C00057320

1 reference

based on heuristic

inferred from InChIKey

UNII

45IUB1PX8R

1 reference

stated in

Global Substance Registration System

UNII

45IUB1PX8R

language of work or name

English

title

monomethyl fumarate (English)

retrieved

20 November 2016

Probes And Drugs ID

PD048045

0 references

Google Knowledge Graph ID

/g/11f1rl1bwp

0 references

 

Sitelinks

Wikipedia(1 entry)

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• enwiki Monomethyl fumarate

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Multilingual sites(0 entries)

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