| CAS Number | 1632463-24-1 |
| Catalog Number | AG00AQF8(AGN-PC-0WH5SM) |
| Chemical Name | 5-Chloro-N-[4-[(5S)-5-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]phenyl]-N-[2-[2-oxo-2-[[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]amino]ethoxy]ethyl]-2-thiophenecarboxamide |
| IUPAC Name | 5-chloro-N-[[(5S)-3-[4-[(5-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide |
| InChI | InChI=1S/C38H36Cl2N6O10S2/c39-31-11-9-29(57-31)35(49)42-18-28-20-46(38(52)56-28)26-7-3-24(4-8-26)44(36(50)30-10-12-32(40)58-30)14-16-53-21-33(47)41-17-27-19-45(37(51)55-27)25-5-1-23(2-6-25)43-13-15-54-22-34(43)48/h1-12,27-28H,13-22H2,(H,41,47)(H,42,49)/t27-,28-/m0/s1 |
| InChI Key | CYLLZCQTBKRWBP-NSOVKSMOSA-N |
| MDL Number | MFCD31735093 |
| Molecular Formula | C38H36Cl2N6O10S2 |
| Molecular Weight | 871.7626 |
| SMILES | O=C(C1=CC=C(Cl)S1)N(C5=CC=C(N6C(O[C@@H](CNC(C7=CC=C(Cl)S7)=O)C6)=O)C=C5)CCOCC(NC[C@H]2CN(C3=CC=C(N4C(COCC4)=O)C=C3)C(O2)=O)=O |
| Synonyms | Rivaroxaban Pseudodimer,
ethyl]thiophene-2-carboxamide,
1632463-24-1,
5-chloro-N-[[(5S)-3-[4-[(5-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]m,
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| Complexity | 1510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 870.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 58 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 871.758g/mol |
| Monoisotopic Mass | 870.131g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 233A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
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