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Substance Name: Monobutyl fumarate
RN: 16062-88-7
UNII: 2T4KZW2ORV
InChIKey: UTOVMEACOLCUCK-SNAWJCMRSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C8-H12-O4

Molecular Weight

  • 172.179
 
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Names and Synonyms

Name of Substance

  • Monobutyl fumarate

Synonyms

  • Fumaric acid, butyl ester
  • Monobutyl (E)-2-butenedioate
  • Monobutyl fumarate
  • n-Butyl fumarate
  • UNII-2T4KZW2ORV

Systematic Names

  • 2-Butenedioic acid (2E)-, 1-butyl ester
  • 2-Butenedioic acid, (E)-, monobutyl ester (9CI)
  • Fumaric acid, monobutyl ester

Registry Numbers

CAS Registry Number

  • 16062-88-7

FDA UNII

  • 2T4KZW2ORV

System Generated Number

  • 0016062887

Structure Descriptors

InChI

1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4+

InChIKey

UTOVMEACOLCUCK-SNAWJCMRSA-N

Smiles

C(\C=C\C(O)=O)(OCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intramuscular 3gm/kg (3000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942.