(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one

HCID 10005375

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Grundinformationen

CAS: 41639-72-9
Standard-SMILES: O=C(/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1
InChIKey: IKVNJBXCGFXOJM-FRYMLLMQSA-N
Summenformel: C31H28O5
Durchschnittliche Molmasse: 480,5 g/mol

Namen und Bezeichner

Bevorzugter Name: (1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one
IUPAC: [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Englischer Name: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester
Summenformel: C31H28O5
Molmasse: 480.55

Namen und Synonyme

41639-72-9(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-[(4-phenylbenzoyl)oxy]-2-oxabicyclo[3.3.0]octan-3-oneRefChem:394227682-023-1[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-Phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoateIKVNJBXCGFXOJM-FRYMLLMQSA-NRMZ7K7FQT8SCHEMBL1364975WLZ3884

Weitere Namen anzeigen

LT-BPKProstaglandin Impurity 13LT-BPK(BiMaprost￠Latanprost)[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-...Biphenyl-4-carboxylic acid2-oxo-4-(3-oxo-5-phenyl-pent-1-enyl)-hexahydro-cyclopenta[b]furan-5-ylester(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester[1,1'-Biphenyl]-4-carboxylic acid,(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester

(3aR,4R,5R,6aS)-2-oxo-4-[(1E)-3-oxo-5-phenylpent-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylateAKOS015896655AC-24762DB-225305(3aR,4R,5R,6aS)-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(4-phenylbenzoyloxy)-hexahydro-2H-cyclopenta[b]furan-2-one(3aR,4R,5R,6aS)-hexahydro-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(p-phenyl-benzoyloxy)-2H-cyclopenta[b]furan-2-one(3aR,4R,5R,6aS)-hexahydro-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(p-phenylbenzoyloxy)-2H-cyclopenta[b]furan-2-one[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester

Datenbank-Bezeichner

CAS: 41639-72-9
PubChem CID: 10005375
UNII: RMZ7K7FQT8
EC Number: 682-023-1
Nikkaji: J2.876.210K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,6
Polarare Oberfläche (TPSA): 69,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 9
Schwere Atome: 36
Formalladung: 0
Komplexität: 798

Physikochemische Eigenschaften

Schmelzpunkt: 130 · 130-131 °C
Siedepunkt: 695.2 · 695.2±55.0 °C(Predicted)
Dichte: 1.26 · 1.26
Löslichkeit: DCM, Ethyl Acetate
Aggregatzustand: Solid
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden[1,1''-Biphenyl]-4-carboxylic Acid (3aR,4R,5R,6aS)-Hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester is an intermediate in the synthesis of Latanoprost (L177280) related analogues used in the treatment of glaucoma and various degenerative eye diseases.