| CAS Number | 302781-98-2 |
| Catalog Number | AG00C2QP(AGN-PC-0WA23J) |
| Chemical Name | Desfluoro Ezetimibe |
| IUPAC Name | (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one |
| InChI | InChI=1S/C24H22FNO3/c25-18-10-6-16(7-11-18)22(28)15-14-21-23(17-8-12-20(27)13-9-17)26(24(21)29)19-4-2-1-3-5-19/h1-13,21-23,27-28H,14-15H2/t21-,22+,23-/m1/s1 |
| InChI Key | YWZUFJFIXFJKBD-XPWALMASSA-N |
| MDL Number | MFCD24386672 |
| Molecular Formula | C24H22FNO3 |
| Molecular Weight | 391.4348 |
| SMILES | FC1=CC=C(C=C1)[C@H](CC[C@H]1C(N([C@@H]1C1=CC=C(C=C1)O)C1=CC=CC=C1)=O)O |
| Synonyms | Desfluoro Ezetimibe,
302781-98-2,
(3R,4S)-3-[(3S)-3-(4-Fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenyl-2-azetidinone,
SCHEMBL14563891,
DTXSID00730350,
ZINC77287132,
(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one,
FT-0666010,
(3R,4S)-3-[(S)-3-(4-Fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-phenylazetidine-2-one,
Ezetimibe Desfluro impurity,
CS-T-15984,
(3R,4S)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-1-phenylazetidin-2-one,
|
| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.442g/mol |
| Monoisotopic Mass | 391.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number