Bicalutamide 2,3,4-Triacetate alpha-D-Glucopyranuronic Acid Methyl Ester
Product Code
TRC-T856225-5MG
Product Format
Neat
Molecular Formula
C31 H30 F4 N2 O13 S
Molecular Weight
746.634
Product Categories
Product Information
Chemical Data
Analyte Name
Bicalutamide 2,3,4-Triacetate alpha-D-Glucopyranuronic Acid Methyl Ester
Molecular Formula
C31 H30 F4 N2 O13 S
Molecular Weight
746.634
Accurate Mass
746.14
SMILES
COC(=O)[C@@H]1O[C@H](OC(C)(CS(=O)(=O)c2ccc(F)cc2)C(=O)Nc3ccc(C#N)c(c3)C(F)(F)F)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
InChI
InChI=1S/C31H30F4N2O13S/c1-15(38)46-23-24(47-16(2)39)26(48-17(3)40)28(49-25(23)27(41)45-5)50-30(4,14-51(43,44)21-10-7-19(32)8-11-21)29(42)37-20-9-6-18(13-36)22(12-20)31(33,34)35/h6-12,23-26,28H,14H2,1-5H3,(H,37,42)/t23-,24-,25-,26+,28-,30?/m1/s1
IUPAC
methyl (2R,3R,4R,5S,6R)-3,4,5-triacetyloxy-6-[1-[4-cyano-3-(trifluoromethyl)anilino]-3-(4-fluorophenyl)sulfonyl-2-methyl-1-oxopropan-2-yl]oxyoxane-2-carboxylate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat