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3-Hydroxymethyl Maraviroc-[d6]

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General Information
Catalog: BLP-002749
CAS: 1217536-16-7
Molecular Formula: C29H35D6F2N5O
Molecular Weight: 535.70

Chemical Structure

Description	3-Hydroxymethyl Maraviroc-[d6] is the labelled analogue of 3-Hydroxymethyl Maraviroc, which is a metabolite of Maraviroc.
Synonyms	3-Hydroxymethyl Maraviroc D6; 4,4-Difluoro-N-[(1S)-1-(4-phenyl)-3-[(3-exo)-3-[3-hydroxymethyl-5-(1-methylethyl-d6)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]propyl]-cyclohexanecarboxamide
IUPAC Name	4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
Related CAS	1217535-55-1 (unlabelled)
Canonical SMILES	CC(C)C1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)CO
InChI	InChI=1S/C29H41F2N5O2/c1-19(2)27-34-33-26(18-37)36(27)24-16-22-8-9-23(17-24)35(22)15-12-25(20-6-4-3-5-7-20)32-28(38)21-10-13-29(30,31)14-11-21/h3-7,19,21-25,37H,8-18H2,1-2H3,(H,32,38)/t22-,23+,24?,25-/m0/s1/i1D3,2D3
InChI Key	QYAXWUVUSZZECX-NDKFSGBMSA-N