| CAS Number | 1074549-89-5 |
| Catalog Number | AG01CBCW(AGN-PC-0WH55F) |
| Chemical Name | 4,5-Dehydro Apixaban |
| IUPAC Name | 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]pyrazolo[3,4-c]pyridine-3-carboxamide |
| InChI | InChI=1S/C25H23N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-13,15H,2-4,14H2,1H3,(H2,26,32) |
| InChI Key | CBTJDWJXHOSJHK-UHFFFAOYSA-N |
| Molecular Formula | C25H23N5O4 |
| Molecular Weight | 457.4812 |
| SMILES | NC(C1=NN(C2=CC=C(OC)C=C2)C(C3=O)=C1C=CN3C(C=C4)=CC=C4N5C(CCCC5)=O)=O |
| Synonyms | 4,5-Dehydro Apixaban,
1074549-89-5,
SCHEMBL15529495,
Dehydro Apixaban,
CS-O-15285,
|
| Complexity | 818 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 457.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 457.49g/mol |
| Monoisotopic Mass | 457.175g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number