Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenepentanoate
Basic information
- CAS
88931-51-5- Standard SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2CC(CCCCC(=O)OC)=C[C@H]2C[C@H]1O- InChIKey
QIGRQPVOWVHYBT-KABTVRTISA-N- Molecular formula
- C22H36O4
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.26135963
Overview
Clinprost is a small molecule drug. Clinprost has a monoisotopic molecular weight of 364.26 Da.
Names & identifiers
- Preferred name
- Methyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenepentanoate
- IUPAC
- methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
Names & synonyms
ClinprostIsocarbacyclin methyl esterTEI-9090ArteronTTC-90988931-51-56GRI2J11N5DTXSID201107239clinprostumMethyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((1E,3S)-3-hydroxy-1-octen-1-yl)-2-pentalenepentanoateMethyl (3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-pentalenepentanoateRefChem:925617
Show more names
DTXCID301538891Clinprost [INN]Tei 9090methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate(+)-Methyl-(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((E)-(3S)-3-hydroxy-1-octenyl)-2-pentalenevalerateArteonTtc 909UNII-6GRI2J11N5
Database identifiers
- CAS
88931-51-5- PubChem CID
- 6436040
- DTXSID
DTXSID201107239- ChEMBL
CHEMBL2104163- UNII
- 6GRI2J11N5
- Nikkaji
- J385.618F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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