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Celecoxib Carboxylic Acid Acyl-Beta-D-glucuronide, TRC

Artikelnummer. 30366477
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1 mg
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30366477 1 mg
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Artikelnummer. 30366477 Leverandør Toronto Research Chemicals Leverandørnr. TRCC2510151MG

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Tekniske data

Kemisk navn eller materiale Celecoxib Carboxylic Acid Acyl-beta-D-glucuronide
CAS 264236-79-5
Molekylær formel C23H20F3N3O10S
Mængde 1 mg
Synonym 1-[4-[1-[4-(Aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic αcid
InChI formel InChI=1S/C23H20F3N3O10S/c24-23(25,26)15-9-14(29(28-15)12-5-7-13(8-6-12)40(27,36)37)10-1-3-11(4-2-10)21(35)39-22-18(32)16(30)17(31)19(38-22)20(33)34/h1-9,16-19,22,30-32H,(H,33,34)(H2,27,36,37)/t16-,17-,18+,19-,22-/m0/s1
SMIL NS(C1=CC=C(N2C(C3=CC=C(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=O)C=C3)=CC(C(F)(F)F)=N2)C=C1)(=O)=O
IUPAC navn (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid
Molekylvægt (g/mol) 587.48
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