Product Code

TRC-B740037

Product Format

Neat

Molecular Formula

C25 D3 H25 N8 O2

Molecular Weight

475.561

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

2253964-85-9

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione-D3

Molecular Formula

C25 D3 H25 N8 O2

Molecular Weight

475.561

Accurate Mass

475.252

SMILES

[2H]C([2H])([2H])C#CCn1c(N[C@H]2CCCNC2)nc3N(C)C(=O)N(Cc4nc(C)c5ccccc5n4)C(=O)c13

InChI

InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(30-24(32)28-17-9-8-12-26-14-17)31(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)29-20/h6-7,10-11,17,26H,8-9,12-15H2,1-3H3,(H,28,30)/t17-/m0/s1/i1D3

IUPAC

3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-[[(3S)-piperidin-3-yl]amino]-7-(4,4,4-trideuteriobut-2-ynyl)purine-2,6-dione

Unlabelled CAS Number

2253964-85-9

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-8-[(3S)-3-piperidinylamino]-1H-purine-2,6-dione-D3

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