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Substance Name: Monocrotalic acid
RN: 26543-09-9
InChIKey: YTEPYGBARSCSMX-VXFFBNABSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C8-H12-O5

Molecular Weight

  • 188.178
 
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Names and Synonyms

Results Name

  • Monocrotalic acid

Synonym

  • Monocrotalic acid

Systematic Names

  • 2-Furancarboxylic acid, tetrahydro-3-hydroxy-2,3,4-trimethyl-5-oxo-, (2R-(2-alpha,3-beta,4-alpha))-
  • 2-Furoic acid, tetrahydro-3-hydroxy-2,3,4-trimethyl-5-oxo-, (2R,3R,4R)- (8CI)
  • L-Arabinaric acid, 2-deoxy-2-methyl-3,4-di-C-methyl-, 1,4-lactone (9CI)

Registry Numbers

CAS Registry Number

  • 26543-09-9

System Generated Number

  • 0026543099

Structure Descriptors

InChI

1S/C8H12O5/c1-4-5(9)13-8(3,6(10)11)7(4,2)12/h4,12H,1-3H3,(H,10,11)/t4-,7-,8+/m1/s1

InChIKey

YTEPYGBARSCSMX-VXFFBNABSA-N

Smiles

O1[C@]([C@]([C@@H](C)C1=O)(C)O)(C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 606mg/kg (606mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BLOOD: "LYMPHOMA, INCLUDING HODGKIN'S DISEASE"
Research Today. Vol. 5, Pg. 53, 1949.
rat LD50 intravenous 581mg/kg (581mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BLOOD: "LYMPHOMA, INCLUDING HODGKIN'S DISEASE"
Research Today. Vol. 5, Pg. 53, 1949.