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N-Formyl Maraviroc-[d6]

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General Information
Catalog: BLP-005001
CAS: 1346597-31-6
Molecular Formula: C30H35D6F2N5O2
Molecular Weight: 547.71

Chemical Structure

Description	N-Formyl Maraviroc-[d6] is the labelled analogue of N-Formyl Maraviroc, which is an impurity of Maraviroc.
Synonyms	N-Formyl Maraviroc-d6; 4,4-Difluoro-N-formyl-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]cyclohexane carboxamide
IUPAC Name	4,4-difluoro-N-formyl-N-[(1S)-3-[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-phenylpropyl]cyclohexane-1-carboxamide
Related CAS	1346597-44-1 (unlabelled)
Canonical SMILES	CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)N(C=O)C(=O)C5CCC(CC5)(F)F)C(C)C
InChI	InChI=1S/C30H41F2N5O2/c1-20(2)28-34-33-21(3)37(28)26-17-24-9-10-25(18-26)35(24)16-13-27(22-7-5-4-6-8-22)36(19-38)29(39)23-11-14-30(31,32)15-12-23/h4-8,19-20,23-27H,9-18H2,1-3H3/t24?,25?,26?,27-/m0/s1/i1D3,2D3
InChI Key	VOAHTIZOTHESLT-KFMTUYIGSA-N