Analyte Name

4-Hydroxyphenyl Maraviroc-d6

CAS Number

1217513-42-2

Molecular Formula

C29 D6 H35 F2 N5 O2

Molecular Weight

535.702

Accurate Mass

535.36

SMILES

[2H]C([2H])([2H])C(c1nnc(C)n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C4CCC(F)(F)CC4)c5ccc(O)cc5)C([2H])([2H])[2H]

InChI

InChI=1S/C29H41F2N5O2/c1-18(2)27-34-33-19(3)36(27)24-16-22-6-7-23(17-24)35(22)15-12-26(20-4-8-25(37)9-5-20)32-28(38)21-10-13-29(30,31)14-11-21/h4-5,8-9,18,21-24,26,37H,6-7,10-17H2,1-3H3,(H,32,38)/t22-,23+,24-,26-/m0/s1/i1D3,2D3

IUPAC

4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-hydroxyphenyl)propyl]cyclohexane-1-carboxamide

Unlabelled CAS Number

856708-54-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat