PRN-1008-d8
Product Code
TRC-P745302-75MG
Product Format
Neat
Molecular Formula
C36 D8 H32 F N9 O3
Molecular Weight
673.809
Product Categories
Product Type
Stable Isotope LabelledPrice and availability
Product Information
Product Data
Analyte Name
(E)-2-[(3S)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
Molecular Formula
C36 D8 H32 F N9 O3
Molecular Weight
673.809
Accurate Mass
673.374
SMILES
[2H]C1([2H])N(C2COC2)C([2H])([2H])C([2H])([2H])N(C(C)(C)\C=C(/C#N)\C(=O)N3CCC[C@@H](C3)n4nc(c5ccc(Oc6ccccc6)cc5F)c7c(N)ncnc47)C1([2H])[2H]
InChI
InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1/i13D2,14D2,15D2,16D2
IUPAC
(E)-2-[(3S)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
SIL Type
Deuterium
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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