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Maraviroc-d6

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For Research Use Only | Not For Clinical Use
CATAPS1033699227
CAS1033699-22-7
Synonyms4,4-Difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl-d6)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]cyclohexanecarboxamide, UK 427857-d6
IUPAC Name4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-[3-methyl-5-[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide
Molecular Weight519.70
Molecular FormulaC29D6H35F2N5O
Canonical SMILES[2H]C([2H])([2H])C(c1nnc(C)n1C2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C4CCC(F)(F)CC4)c5ccccc5)C([2H])([2H])[2H]
InChIInChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1/i1D3,2D3
Accurate Mass519.3656
FormatNeat
SubcategoryChiral molecules, Enzyme inhibitors, Stable isotope labelled compounds
TypeStable Isotope Labelled
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