| CAS Number | 1296129-15-1 |
| Catalog Number | AG009EVL(AGN-PC-0WAKNF) |
| Chemical Name | (2R,3R,6S)-N,6-Bis(4-fluorophenyl)tetrahydro-2-(4-hydroxyphenyl)-2H-pyran-3-carboxamide |
| IUPAC Name | (2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide |
| InChI | InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22-14-13-21(23(30-22)16-3-11-20(28)12-4-16)24(29)27-19-9-7-18(26)8-10-19/h1-12,21-23,28H,13-14H2,(H,27,29)/t21-,22+,23+/m1/s1 |
| InChI Key | IBDXWUJVRNPFPE-VJBWXMMDSA-N |
| MDL Number | MFCD28358894 |
| Molecular Formula | C24H21F2NO3 |
| Molecular Weight | 409.4252 |
| SMILES | O=C([C@H]1[C@H](C2=CC=C(O)C=C2)O[C@H](C3=CC=C(F)C=C3)CC1)NC4=CC=C(F)C=C4 |
| Synonyms | 1296129-15-1,
Ezetimibe Tetrahydropyran Impurity,
(2R,3R,6S)-N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)tetrahydro-2H-pyran-3-carboxamide,
DTXSID70747778,
(2R,3R,6S)-N,6-Bis(4-fluorophenyl)tetrahydro-2-(4-hydroxyphenyl)-2H-pyran-3-carboxamide,
MFCD28358894,
ZINC77292482,
AKOS030526026,
(2R,3R,6S)-N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide,
IBDXWUJVRNPFPE-VJBWXMMDSA-N,
CS-T-23399,
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| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.433g/mol |
| Monoisotopic Mass | 409.149g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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