Monomethyl Fumarate

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H6O4
Molecular Weight	130.0987
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Monomethyl Fumarate

Structure Search

SMILES

COC(=O)\C=C\C(O)=O

InChI

InChIKey=NKHAVTQWNUWKEO-NSCUHMNNSA-N

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

HIDE SMILES / InChI

Molecular Formula	C5H6O4
Molecular Weight	130.0987
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:05:39 UTC 2023` Edited by `admin` on `Fri Dec 15 18:05:39 UTC 2023`
Record UNII	45IUB1PX8R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Monomethyl Fumarate

Official Name

English

METHYL HYDROGEN FUMARATE

Systematic Name

English

MONOMETHYL FUMARATE [USAN]

Common Name

English

NSC-523835

Code

English

MMF

Common Name

English

FUMARIC ACID MONOMETHYL ESTER [MI]

Common Name

English

FUMARIC ACID MONOMETHYL ESTER

Systematic Name

English

Monomethyl fumarate [WHO-DD]

Common Name

English

MONOMETHYL FUMARATE [ORANGE BOOK]

Common Name

English

monomethyl fumarate [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

724619

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

Code System Code Type Description

WIKIPEDIA

Monomethyl fumarate

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

PUBCHEM

5369209

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

RXCUI

1546433

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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RxNorm

ECHA (EC/EINECS)

220-412-6

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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NCI_THESAURUS

C166722

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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CAS

2756-87-8

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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INN

11163

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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SMS_ID

100000170158

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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DRUG BANK

DB14219

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

CHEBI

167450

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

EPA CompTox

DTXSID801016498

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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EVMPD

SUB184027

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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RS_ITEM_NUM

1210229

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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USAN

FG-183

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

DAILYMED

45IUB1PX8R

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

FDA UNII

45IUB1PX8R

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

NSC

523835

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

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MERCK INDEX

m5586

Created by admin on Fri Dec 15 18:05:39 UTC 2023 , Edited by admin on Fri Dec 15 18:05:39 UTC 2023

PRIMARY

Merck Index

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					P93F057EMS

NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2

TARGET -> ACTIVATOR

Amount:

Related Record Type Details


					K0N0Z40J3W

DIROXIMEL FUMARATE

PRODRUG -> METABOLITE ACTIVE

Amount:


					142M471B3J

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

EXHALATION

Amount:


					KOS9TZ09CM

TEPILAMIDE FUMARATE

PRODRUG -> METABOLITE ACTIVE

Amount:


					FO2303MNI2

DIMETHYL FUMARATE

PARENT -> METABOLITE ACTIVE

Amount:

Related Record Type Details


					88XHZ13131

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC