11-deoxy-16,16-trimethyleneprostaglandin E1
Basic information
- CAS
62407-92-5- Standard SMILES
CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)CCC1- InChIKey
HIZKSBVCUYYKMS-GOOMNDMLSA-N- Molecular formula
- C23H38O4
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.27700969
Overview
inhibitor of prostaglandin E-induced contractions of the gerbil colon; RN given refers to (1alpha,2beta(1E,3S*))-(+-)-isomer
Names & identifiers
- Preferred name
- 11-deoxy-16,16-trimethyleneprostaglandin E1
- IUPAC
- 7-[(1R,2R)-2-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopentyl]heptanoic acid
Names & synonyms
62407-92-511-Deoxy-16,16-trimethyleneprostaglandin E1RefChem:778297-[(1R,2R)-2-[(E,3S)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopentyl]heptanoic acidCyclopentaneheptanoic acid, 2-(3-(1-butylcyclobutyl)-3-hydroxy-1-propenyl)-5-oxo-, (1alpha,2beta(1E,3S*))-(+-)-
Database identifiers
- CAS
62407-92-5- PubChem CID
- 6443580
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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