Products 2363086-22-8

CAS 2363086-22-8 appears in our catalog under these names: Ezetimibe Impurity 88, Ezetimibe Impurity 94. Offered by: Chemat Brand. Available pack sizes: on request.

Ezetimibe Impurity 88
Chemat Brand
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  • Variants: 1
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Ezetimibe Impurity 94
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(5R,6S)-1-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-6-(4-hydroxyphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-1,3-diazinane-2,4-dione (CAS 2363086-22-8) is a chemical compound with the molecular formula C33H30F2N2O5 and a molecular weight of 572.6 g/mol. IUPAC name: (5R,6S)-1-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-6-(4-hydroxyphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-1,3-diazinane-2,4-dione. InChIKey: YSPZZYVYTULXQP-LTXXGDHTSA-N.

Identity
Molecular formulaC33H30F2N2O5
Molecular weight572.6 g/mol
IUPAC name(5R,6S)-1-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-6-(4-hydroxyphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-1,3-diazinane-2,4-dione
InChIKeyYSPZZYVYTULXQP-LTXXGDHTSA-N
SMILESC1=CC=C(C=C1)[C@@H](CO)N2C(=O)[C@@H]([C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)CC[C@@H](C5=CC=C(C=C5)F)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-hydroxyphenyl)methyl]-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one C33H30F2N2O5
(4S)-3-[(2R,5R)-2-[(S)-(4-fluoroanilino)-(4-hydroxyphenyl)methyl]-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one C33H30F2N2O5
(4S)-3-[(2R,5S)-2-[(R)-(4-fluoroanilino)-(4-hydroxyphenyl)methyl]-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one C33H30F2N2O5