Desfluoro Fosaprepitant
Product Code
TRC-D295760-75MG
Product Format
Neat
Molecular Formula
C23 H23 F6 N4 O6 P
Molecular Weight
596.416
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
Desfluoro Fosaprepitant
Molecular Formula
C23 H23 F6 N4 O6 P
Molecular Weight
596.416
Accurate Mass
596.126
SMILES
C[C@@H](O[C@H]1OCCN(CC2=NN(C(=O)N2)P(=O)(O)O)[C@H]1c3ccccc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H23F6N4O6P/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)39-20-19(14-5-3-2-4-6-14)32(7-8-38-20)12-18-30-21(34)33(31-18)40(35,36)37/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H,30,31,34)(H2,35,36,37)/t13-,19+,20-/m1/s1
IUPAC
[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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