Products 81026-63-3

CAS 81026-63-3 appears in our catalog under these names: Enisoprost, SC 34301. Offered by: TRC, MedChemExpress. Available pack sizes: 25mg, Get quote.

Enisoprost
TRC
  • size: 25mg
  • Variants: 1
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SC 34301
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate (CAS 81026-63-3) is a chemical compound with the molecular formula C22H36O5 and a molecular weight of 380.5 g/mol. IUPAC name: methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate. InChIKey: CIBHDGPIOICRGX-ZQCHCGQNSA-N.

Identity
Molecular formulaC22H36O5
Molecular weight380.5 g/mol
IUPAC namemethyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate
InChIKeyCIBHDGPIOICRGX-ZQCHCGQNSA-N
SMILESCCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC/C=C\CCC(=O)OC)O)O

Computed by PubChem (NCBI)

Synonyms: ENISOPROST, Enisoprostum, 11,16-dihydroxy-16-methyl-9-oxoprost-4,13-dien-1-oic acid, Enisoprostum [Latin], Enisoprost [USAN:INN], ENISOPROST [INN], Enisoprost (USAN/INN), ENISOPROST [USAN], ENISOPROST [MART.], orb1744243
Isomers (same molecular formula)
(E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid C22H36O5
(E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-(trideuteriomethyl)non-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid C22H36O5
[(2R,3S,4R,6R,8R,14R)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate C22H36O5
(E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5R)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid C22H36O5