| CAS Number | 1798008-25-9 |
| Catalog Number | AG00ANAI(AGN-PC-0WH3W4) |
| Chemical Name | rel-(3S,4R)-1-(4-Fluorophenyl)-3-[(3R)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone |
| IUPAC Name | (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one |
| InChI | InChI=1S/C24H21F2NO3/c25-16-7-9-17(10-8-16)27-23(15-5-11-18(28)12-6-15)20(24(27)30)13-14-22(29)19-3-1-2-4-21(19)26/h1-12,20,22-23,28-29H,13-14H2/t20-,22+,23-/m1/s1 |
| InChI Key | OBQFYRYCMDREFB-AKIFATBCSA-N |
| MDL Number | MFCD28138509 |
| Molecular Formula | C24H21F2NO3 |
| Molecular Weight | 409.4252 |
| SMILES | FC1=CC=C(C=C1)N1C([C@H]([C@@H]1C1=CC=C(C=C1)O)CC[C@@H](O)C1=C(C=CC=C1)F)=O |
| Synonyms | 1798008-25-9,
3 inverted exclamation mark -(2-Fluorophenyl) Ezetimibe,
(3R,4S)-1-(4-fluorophenyl)-3-[(3s)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone,
Ezetimibe o-Fluorobenzene Isomer,
OBQFYRYCMDREFB-AKIFATBCSA-N,
O-Fluorobenzene isomer of Ezetimibe,
CS-O-16379,
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| Complexity | 575 |
| 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 | 6 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number