17-Phenyl-18,19,20-trinor-pgf2-alpha 1,15-lactone
Basic information
- CAS
62411-15-8- Standard SMILES
O=C1CCC/C=C\C[C@H]2C(O)CC(O)C2/C=C\[C@H](CCc2ccccc2)O1- InChIKey
RIBUBQDYGJHEOM-KDACTHKWSA-N- Molecular formula
- C23H30O4
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.21440943
Names & identifiers
- Preferred name
- 17-Phenyl-18,19,20-trinor-pgf2-alpha 1,15-lactone
- IUPAC
- (2Z,4S,10Z,13R)-14,16-dihydroxy-4-(2-phenylethyl)-5-oxabicyclo[11.3.0]hexadeca-2,10-dien-6-one
- English name
- (1E,3S,9Z,11aR,12S,14R,14aR)-3,6,7,8,11,11a,12,13,14,14a-Decahydro-12,14-dihydroxy-3-(2-phenylethyl)-5H-cyclopent[e]oxacyclotridecin-5-one
- Molecular formula
- C23H30O4
- Molecular weight
- 370.48
Names & synonyms
62411-15-8BRN 562215917-Phenyl-18,19,20-trinor-pgf2-alpha 1,15-lactone17-Phenyl-18,19,20-trinor-prostaglandin F2-alpha 1,15-lactone5H-Cyclopent(e)oxacyclotridecin-5-one, 3,6,7,8,11,11a,12,13,14,14a-decahydro-12,14-dihydroxy-3-(2-phenylethyl)-, (3S-(1E,3R*,9Z,11aS*,12R*,14S*,14aS*))-(1E,3S,9Z,11aR,12S,14R,14aR)-3,6,7,8,11,11a,12,13,14,14a-Decahydro-12,14-dihydroxy-3-(2-phenylethyl)-5H-cyclopent[e]oxacyclotridecin-5-one17-Phenyl-18,19,20-trinorPGF2α 1,15-lactone17-Phenyl-18,19,20-trinor-PGF2α 1,15-Lactone17-Phenyl-18,19,20-trinorprostaglandin F2α 1,15-lactone5H-Cyclopent[e]oxacyclotridecin-5-one, 3,6,7,8,11,11a,12,13,14,14a-decahydro-12,14-dihydroxy-3-(2-phenylethyl)-, [3S-(1E,3R*,9Z,11aS*,12R*,14S*,14aS*)]- (9CI)
Database identifiers
- CAS
62411-15-8- PubChem CID
- 6446549
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Chemistry & industry
Applications
Uses17-Phenyl-18,19,20-trinor-PGF2α 1,15-Lactone is an impurity of Bimatoprost (B386800), which is an antiglaucoma agent. Bimatoprost is an synthetic prostamide; structurally related to prostaglandin F2α.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…