| Identification | Back Directory | [Name]
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
| [CAS]
202189-76-2 | [Synonyms]
Bilastine impurity C
2-[4-[1-(4,4-Dimethyl-5H-Oxazol-2-Yl)-1- Methyl-Ethyl]Phenyl
4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate
4 - (2 - (4,4-dimethyl-4,5-dihydroxazol-2-yl) propyl-2-yl) phenylethyl 4-methylbenzene sulfonate
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
| [EINECS(EC#)]
606-467-2 | [Molecular Formula]
C23H29NO4S | [MDL Number]
MFCD11046409 | [MOL File]
202189-76-2.mol | [Molecular Weight]
415.55 |
| Chemical Properties | Back Directory | [Boiling point ]
545.1±45.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [vapor pressure ]
0Pa at 25℃ | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
soluble in Dichloromethane; | [pka]
5.78±0.70(Predicted) | [Water Solubility ]
5.717μg/L at 25℃ | [InChI]
InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3 | [InChIKey]
BGUOPDZOVDIWLE-UHFFFAOYSA-N | [SMILES]
C(C1C=CC(CCOS(C2C=CC(C)=CC=2)(=O)=O)=CC=1)(C1OCC(C)(C)N=1)(C)C | [LogP]
6.6 |
| Hazard Information | Back Directory | [Uses]
4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-benzeneethanol 1-(4-Methylbenzenesulfonate)-d6 is an intermediate used in the synthesis of Bilastine-d6 (B385002), which is labelled Bilastine. It is a novel, nonsedating H1-antihistamine developed for symptomatic treatment of allergic rhinitis and chronic idiopathic urticaria. |
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