Products 1217535-55-1

CAS 1217535-55-1 is the registry number for 3-Hydroxymethyl Maraviroc. Offered by: TRC. Available pack sizes: 10mg, 1mg.

3-Hydroxymethyl Maraviroc
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

4,4-difluoro-N-[(1S)-3-[3-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide (CAS 1217535-55-1) is a chemical compound with the molecular formula C29H41F2N5O2 and a molecular weight of 529.7 g/mol. IUPAC name: 4,4-difluoro-N-[(1S)-3-[3-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide. InChIKey: QYAXWUVUSZZECX-DGGBHQDZSA-N.

Identity
Molecular formulaC29H41F2N5O2
Molecular weight529.7 g/mol
IUPAC name4,4-difluoro-N-[(1S)-3-[3-[3-(hydroxymethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
InChIKeyQYAXWUVUSZZECX-DGGBHQDZSA-N
SMILESCC(C)C1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)CO

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxymethyl Maraviroc
Isomers (same molecular formula)
4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide C29H41F2N5O2
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 C29H41F2N5O2