Prosolvin; Reprodin
Basic information
- CAS
67110-79-6- Standard SMILES
O=C(O)CCCC=CCC1C(O)CC(O)C1SCC(O)COc1cccc(Cl)c1- InChIKey
KFUDFIMHDRJVLV-UHFFFAOYSA-N- Molecular formula
- C21H29ClO6S
- Average molar mass
- 445 g/mol
- Monoisotopic mass
- 444.1373375
Names & identifiers
- Preferred name
- Prosolvin; Reprodin
- IUPAC
- 7-[2-[3-(3-chlorophenoxy)-2-hydroxypropyl]sulfanyl-3,5-dihydroxycyclopentyl]hept-5-enoic acid
- English name
- Luprostiol
- Molecular formula
- C21H29ClO6S
- Molecular weight
- 444.97
Names & synonyms
Prosolvin; ReprodinProsolvinLuprostiol(Z)-7-((3R,5S)-2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)hept-5-enoic acid(Z)-7-[(1R,2S,3S,5R)-2-[[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]thio]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
Database identifiers
- CAS
67110-79-6- PubChem CID
- 43678
- ChEMBL
CHEMBL2218923
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 685.1 · 685.1±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
- FDA UNII
- 60 H5GZB · HWR60H5GZB
Chemistry & industry
Applications
UsesLuprostiol is a prostaglandin analog. Luprostiol can be used to stimulate endocrine changes in animals[1].
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Related reactions
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Compound notes
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