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Substance Name: Dimethyl fumarate [USAN]
RN: 624-49-7
UNII: FO2303MNI2
InChIKey: LDCRTTXIJACKKU-ONEGZZNKSA-N

Notes

  • A fumarate derivative that is used as a DERMATOLOGIC AGENT in the treatment of PSORIASIS and SKIN DISEASES. It also may be used as an IMMUNOSUPPRESSIVE AGENT in the treatment of MULTIPLE SCLEROSIS.
  • TECFIDERA /dimethyl fumarate/ is indicated for the treatment of patients with relapsing forms of multiple sclerosis /Manufacturer Statement/

Molecular Formula

  • C6-H8-O4

Molecular Weight

  • 144.125
 

Classification Codes

  • Dermatologic Agents
  • Immunologic Factors
  • Immunomodulator
  • Immunosuppressive Agents
  • Radiation-Sensitizing Agents
  • Skin / Eye Irritant

Names and Synonyms

Name of Substance

  • Dimethyl fumarate
  • Dimethyl fumarate [USAN]

MeSH Heading

  • Dimethyl Fumarate

Synonyms

  • 2-Butenedioic acid, dimethyl ester, (E)-
  • 4-02-00-02205 (Beilstein Handbook Reference)
  • AI3-07872
  • Allomaleic acid dimethyl ester
  • AZL O 211089
  • BG 00012
  • BG 12 compound
  • BG 12 [Fumarate]
  • BG-00012
  • BG-12
  • BG-12 [Fumarate]
  • BG00012
  • Boletic acid dimethyl ester
  • BRN 0774590
  • Dimethyl fumarate
  • Dimethyl trans-ethylenedicarboxylate
  • Dimethylester kyseliny fumarove
  • Dimethylester kyseliny fumarove [Czech]
  • Dimethylfumarate
  • EINECS 210-849-0
  • Ethylene, 1,2-bis(methoxycarbonyl)-, trans-
  • FAG 201
  • FAG201
  • Fumaderm
  • Fumaric acid, dimethyl ester
  • HSDB 7725
  • Methyl fumarate
  • NSC 167432
  • NSC 25942
  • Tecfidera
  • TL 353
  • trans-1,2-Ethylenedicarboxylic acid dimethyl ester
  • trans-Butenedioic acid dimethyl ester
  • UNII-FO2303MNI2

Systematic Names

  • 2-Butenedioic acid (2E)-, 1,4-dimethyl ester
  • 2-Butenedioic acid (2E)-, dimethyl ester
  • 2-Butenedioic acid (E)-, dimethyl ester
  • 2-Butenedioic acid, dimethyl ester, (E)-
  • Dimethyl fumarate
  • Fumaric acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 624-49-7

FDA UNII

  • FO2303MNI2

Other Registry Number

  • 1017900-75-2

System Generated Number

  • 0000624497

Structure Descriptors

InChI

1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+

InChIKey

LDCRTTXIJACKKU-ONEGZZNKSA-N

Smiles

C(\C=C\C(OC)=O)(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 3100mg/m3/10 (3100mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. Dec, 1942.
rabbit LD50 skin 1250mg/kg (1250mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 2240mg/kg (2240mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 103.5 deg C   EXP
Boiling Point 193 deg C   EXP
log P (octanol-water) 0.74 (none)   EXP
Water Solubility 1.88E+04 mg/L 25 EST
Vapor Pressure 3.830 mm Hg 25 EST
Henry's Law Constant 1.39E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.34E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.