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ChemicalBook--->CAS DataBase List--->170569-87-6

170569-87-6

170569-87-6 Structure

170569-87-6 Structure
IdentificationBack Directory
[Name]

1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
[CAS]

170569-87-6
[Synonyms]

PTPBS
CAY10452
CAY10454
Celecoxib-12
Celecoxib-004
Desmethyl Celecoxib
Celecoxib Impurity L
Celecoxib Impurity 3
COX-2 INHIBITOR, PTPBS
Celecoxib Desmethyl Impurity
4-(5-phenyl-3-(trifluoromethyl)
4-[5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]BENZENESULFONAMIDE
4-[5-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
Benzenesulfonamide, 4-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE
[3',6'-BIS(ACETYLOXY)-3-OXOSPIRO[ISOBENZOFURAN-1(3H),9'-[9H]XANTHEN]-5-YL]-2-[[(5Z,8Z,11Z,14Z)-1-OXO-5,8,11,14-EICOSATETRAENYL]AMINO]ETHYL ESTER CARBAMIC ACID
[Molecular Formula]

C16H12F3N3O2S
[MDL Number]

MFCD08062171
[MOL File]

170569-87-6.mol
[Molecular Weight]

367.35
Chemical PropertiesBack Directory
[Melting point ]

158-160 °C(Solv: ethanol (64-17-5))
[Boiling point ]

522.5±60.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:8): 0.1 mg/ml
[form ]

A crystalline solid
[pka]

9.68±0.10(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Desmethyl Celecoxib is an impurity of Celecoxib (C251000) which is a selective cyclooxygenase-2 (COX-2) inhibitor with anti-inflammatory activities. Celecoxib is used in treatment of familial adenomatous polyposis.
Spectrum DetailBack Directory
[Spectrum Detail]

1-HEXADECANOYL-2-(P-NITROPHENOXYSUCCINOYL)-SN-GLYCERYL-3-PHOSPHORYLCHOLINE(170569-87-6)1HNMR
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