4-Hydroxyphenyl Maraviroc-d6

cas: 1217513-42-2 — see every product listed under this CAS number, including other names

4-Hydroxyphenyl Maraviroc-d6 (CAS 1217513-42-2) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-H950862-25MG
cas1217513-42-2
size25mg
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Structural formula: {0} (CAS {1})

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 (CAS 1217513-42-2) is a chemical compound with the molecular formula C29H41F2N5O2 and a molecular weight of 535.7 g/mol. IUPAC name: 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. InChIKey: FWOMXCBURQJRQH-KKZUANEFSA-N.

Identity
Molecular formulaC29H41F2N5O2
Molecular weight535.7 g/mol
IUPAC name4,4-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
InChIKeyFWOMXCBURQJRQH-KKZUANEFSA-N
SMILES[2H]C([2H])([2H])C(C1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=C(C=C4)O)NC(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H]

Computed by PubChem (NCBI)

Synonyms: 4-Hydroxyphenyl Maraviroc-d6, 4-HydroxyphenylMaraviroc-d6
Related forms of this compound
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
Isomers (same molecular formula)
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 C29H41F2N5O2