Basic information
- CAS
41639-73-0- Standard SMILES
O=C1C[C@@H]2[C@@H](/C=C/[C@@H](O)CCc3ccccc3)[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2O1- InChIKey
ONMMRZIJKPIGTG-UAFSWDGMSA-N- Molecular formula
- C31H30O5
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- (1S,5R,6R,7R)-6-[(3S)-3-hydroxy-5-phenyl-1-pentenyl]-7-[(4-phenylbenzoyl)oxy]-2-oxabicyclo[3.3.0]octane-3-one
- IUPAC
- [(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
- English name
- [1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl] -2-oxo-2H-cyclopenta[b]furan-5-yl ester
- Molecular formula
- C31H30O5
- Molecular weight
- 482.57
Names & synonyms
41639-73-0(1S,5R,6R,7R)-6-((3S)-3-hydroxy-5-phenyl-1-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octane-3-one(1S,5R,6R,7R)-6-[(3S)-3-hydroxy-5-phenyl-1-pentenyl]-7-[(4-phenylbenzoyl)oxy]-2-oxabicyclo[3.3.0]octane-3-oneRefChem:394226682-026-8(3AR,4R,5R,6AS)-4-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate[(3aR,4R,5R,6aS)-4-[(E,3S)-3-Hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-Phenylbenzoate(3aR,4R,5R,6aS)-Hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2-oxo-2H-cyclopenta[b]furan-5(3aR,4R,5R,6aS)-Hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl Ester [1,1'-Biphenyl]-4-carboxylic Acid[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl] -2-oxo-2H-cyclopenta[b]furan-5-yl esteONMMRZIJKPIGTG-UAFSWDGMSA-NLatanoprost Enol Impurity
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 697.8 · 697.8±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesLatanoprost Enol is an impurity of Latanoprost (L177280), a prostaglandin analogue used to treat glaucoma and other degenerative diseases of the eye.
Uses[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl] -2-oxo-2H-cyclopenta[b]furan-5-yl ester is an impurity of Latanoprost (L177280), a prostaglandin analogue used to treat glaucoma and other degenerative diseases of the eye.
Upstream & downstream products
Downstream products
Suppliers44 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉灵灵九生物科技有限公司
Related reactions
2 records
Compound notes
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