CL 115574
Basic information
- CAS
74159-84-5- Standard SMILES
CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)CO- InChIKey
KZRFFIVMBRBAAB-CFZYSXGVSA-N- Molecular formula
- C22H38O5
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.27192431
Overview
antisecretory prostaglandin E analog; structure given in first source
Names & identifiers
- Preferred name
- CL 115574
- IUPAC
- (2R,3R,4R)-4-hydroxy-3-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-one
Names & synonyms
74159-84-5CL 115574CL-115574CL 115,574RefChem:126652Prost-13-ene-1,9-dione, 11,16-dihydroxy-1-(hydroxymethyl)-16-methyl-, (11alpha,13E)-(+-)-11alpha,16alpha,beta-Dihydroxy-1,9-dioxo-1-hydroxymethyl-16-methyl-13-trans-prostene(2R,3R,4R)-4-hydroxy-3-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-oneSCHEMBL10415155DTXSID301366064
Database identifiers
- CAS
74159-84-5- PubChem CID
- 6441850
- DTXSID
DTXSID301366064
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
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Related reactions
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Compound notes
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