| Identification | Back Directory | [Name]
3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one | [CAS]
104801-96-9 | [Synonyms]
Orlistat Impurity 38
3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
(3S,4S,6R)-3-hexyltetrahydro-4-hydroxy-6-undecyl-2H-Pyran-2-one
(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one
2H-Pyran-2-one,3-hexyltetrahydro-4-hydroxy-6-undecyl-, (3S,4S,6R)- | [Molecular Formula]
C22H42O3 | [MDL Number]
MFCD09833467 | [MOL File]
104801-96-9.mol | [Molecular Weight]
354.571 |
| Chemical Properties | Back Directory | [Melting point ]
108-109 ºC | [Boiling point ]
483.2±28.0 °C(Predicted) | [density ]
0.931 | [storage temp. ]
2-8°C | [pka]
13.57±0.60(Predicted) | [InChI]
InChI=1S/C22H42O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19-21,23H,3-18H2,1-2H3/t19-,20+,21+/m1/s1 | [InChIKey]
LRXRIVSWHMVULO-HKBOAZHASA-N | [SMILES]
C1(=O)O[C@H](CCCCCCCCCCC)C[C@H](O)[C@@H]1CCCCCC |
| Hazard Information | Back Directory | [Uses]
(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyltetrahydro-2H-pyran-2-one is used in preparation of Orlistat impurity F for quality control of Orlistat and its active pharmaceutical ingredient. |
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