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4-Chloro Maraviroc-[d6]

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General Information
Catalog: BLP-002868
CAS: 1346597-32-7
Molecular Formula: C29H35D6ClFN5O
Molecular Weight: 536.16

Chemical Structure

Description	4-Chloro Maraviroc-[d6] is the labelled analogue of 4-Chloro Maraviroc, which is an impurity of Maraviroc. Maraviroc is a selective CCR5 antagonist.
Synonyms	4-Chloro Maraviroc-d6; 4-Chloro-4-fluoro-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
IUPAC Name	4-chloro-4-fluoro-N-[(1S)-3-[3-[3-(1,1,1,2,3,3-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	1391048-05-7 (unlabelled)
Canonical SMILES	CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)Cl)C(C)C
InChI	InChI=1S/C29H41ClFN5O/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)/t22?,23?,24?,25?,26-,29?/m0/s1/i1D2,2D3,19D/t19?,22?,23?,24?,25?,26-,29?
InChI Key	NMLZEJRCFABHBR-PBCNYFDSSA-N
Purity	> 98%