Cas no 66792-31-2 (Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)-)

Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)- structure
66792-31-2 structure
Product Name:Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)-
CAS No:66792-31-2
MF:C21H36O5
MW:368.50754737854
CID:964666
PubChem ID:6436406
Update Time:2025-04-19

Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)- Chemical and Physical Properties

Names and Identifiers

    • Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)-
    • MISOPROSTOL ACID-D5
    • CS-0065404
    • Prost-13-en-1-oicacid,11,16-dihydroxy-16-methyl-9-oxo-,(11a,13e)-
    • 66792-31-2
    • BSPBio_001418
    • SC-30695
    • AKOS040733741
    • Misoprostol (free acid)
    • Q27086526
    • SR-01000946416
    • 112137-89-0
    • NCGC00161305-02
    • HMS1791G20
    • misoprostol (free acid form)
    • UNII-12Z0SU967A
    • Misoprostol Acid (10 mg in 1 mL Methyl Acetate)
    • GTPL1935
    • 15-Deoxy-16-hydroxy-16-methylprostaglandin E1
    • MISOPROSTOL, FREE ACID
    • CHEMBL1201377
    • NCGC00161305-03
    • NS00097106
    • (11.ALPHA.,13E)-(+/-)-11,16-DIHYDROXY-16-METHYL-9-OXOPROST-13-EN-1-OIC ACID
    • SC 30695
    • HMS1989G20
    • IDI1_033888
    • SR-01000946416-1
    • Misoprostol free acid
    • DTXSID601347869
    • HY-118189
    • Misoprostol acid?
    • Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E)-(+-)-
    • 7-((1R,2R,3R)-3-Hydroxy-2-((E)-4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl)heptanoic acid
    • NCGC00161305-01
    • MFCD00869984
    • 12Z0SU967A
    • MISOPROSTANOIC ACID
    • Misoprostol free acid, >=90%
    • HMS3402G20
    • (11alpha,13E)-(+)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
    • HMS3648F05
    • SCHEMBL3694237
    • BML2-B06
    • HMS1361G20
    • 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
    • rel-7-((1R,2R,3R)-3-Hydroxy-2-((E)-4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl)heptanoic acid
    • Misoprostol acid
    • misoprostol free-acid
    • MISOPROSTOLIC ACID
    • 9-Oxo-11alpha,16-dihydroxy-16-methyl-prost-13e-en-1-oic acid
    • DB-222482
    • (+/-)-15-Deoxy-(16RS)-16-hydroxy-16-methylprostaglandin E1
    • (11Alpha,13e)-11,16-dihydroxy-16-methyl-9-oxo-prost-13-en-1-oicacid
    • CNWGPXZGIIOYDL-MKYGPDKMSA-N
    • Inchi： 1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1
    • InChI Key： CNWGPXZGIIOYDL-MKYGPDKMSA-N
    • SMILES： O[C@@H]1CC([C@H](CCCCCCC(=O)O)[C@H]1/C=C/CC(C)(CCCC)O)=O

Computed Properties

  • Exact Mass: 368.25627424g/mol
  • Monoisotopic Mass: 368.25627424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 13
  • Complexity: 473
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 94.8?2

Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E )-(+-)- Related Literature

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