(R)-8-(3-Aminopiperidin-1-yl-2,2,6,6-d4)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
Product Code
TRC-A422961-100MG
CAS Number
Product Format
Neat
Molecular Formula
C50 H52 F17 N4 O8 P
Molecular Weight
1190.917
Product Categories
Product Type
Stable Isotope LabelledProduct Information
Chemical Data
Analyte Name
FDMT-T CEP
CAS Number
902456-09-1
Molecular Formula
C50 H52 F17 N4 O8 P
Molecular Weight
1190.917
Accurate Mass
1190.325
SMILES
COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)N3C=C(C)C(=O)NC3=O)(c4ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc4)c5ccc(OC)cc5
InChI
InChI=1S/C50H52F17N4O8P/c1-28(2)71(29(3)4)80(77-24-8-23-68)79-37-25-39(70-26-30(5)40(72)69-41(70)73)78-38(37)27-76-43(33-13-17-35(74-6)18-14-33,34-15-19-36(75-7)20-16-34)32-11-9-31(10-12-32)21-22-42(51,52)44(53,54)45(55,56)46(57,58)47(59,60)48(61,62)49(63,64)50(65,66)67/h9-20,26,28-29,37-39H,8,21-22,24-25,27H2,1-7H3,(H,69,72,73)/t37-,38+,39+,80?/m0/s1
IUPAC
3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-bis(4-methoxyphenyl)methoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxypropanenitrile
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat