41138-61-8

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41138-61-8 Structure

Identification	Back Directory
[Name] METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
[CAS] 41138-61-8
[Synonyms] Misoprostol EP Impurity F methyl (R)-(+)-3-hydroxy-5-oxo-1-cyclo-pentene-1- METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE (R)-Methyl 7-(3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoate 1-Cyclopentene-1-heptanoic acid, 3-hydroxy-5-oxo-, Methyl ester, (3R)- METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLO-P ENTENE-1-HEPTANOATE, 97%(97% EE/HPLC)
[Molecular Formula] C13H20O4
[MDL Number] MFCD00134675
[MOL File] 41138-61-8.mol
[Molecular Weight] 240.3

Chemical Properties	Back Directory
[Melting point ] 59-63 °C(lit.)
[alpha ] 10 º (C=1 IN CHLOROFORM)
[Boiling point ] 378.4±42.0 °C(Predicted)
[density ] 1.125±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C
[solubility ] Methanol (Slightly, Sonicated)
[form ] Solid
[pka] 12.95±0.40(Predicted)
[color ] Light Beige
[Optical Rotation] [α]23/D +10°, c = 1 in chloroform
[Stability:] Hygroscopic
[InChI] InChI=1S/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3/t11-/m0/s1
[InChIKey] PQKUWAVOSCVDCT-NSHDSACASA-N
[SMILES] C1(CCCCCCC(OC)=O)C(=O)C[C@@H](O)C=1

Safety Data	Back Directory
[WGK Germany ] 3

Hazard Information	Back Directory
[Uses] Misoprostol is reported to be as an ingredient of (+)-norprostol. Misoprostol is developed for the treatment of peptic ulcer disease.
[Synthesis Reference(s)] Synthesis, p. 781, 1986 DOI: 10.1055/s-1986-31779

Spectrum Detail	Back Directory
[Spectrum Detail] METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE(41138-61-8)IR

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