| CAS Number | 1365267-35-1 |
| Catalog Number | AG009CFE(AGN-PC-0WBNXD) |
| Chemical Name | N,N’-Bis[Des(5-chloro-2-carvoxythienyl) Rivaroxaban] Urea |
| IUPAC Name | 1,3-bis[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea |
| InChI | InChI=1S/C29H32N6O9/c36-25-17-41-11-9-32(25)19-1-5-21(6-2-19)34-15-23(43-28(34)39)13-30-27(38)31-14-24-16-35(29(40)44-24)22-7-3-20(4-8-22)33-10-12-42-18-26(33)37/h1-8,23-24H,9-18H2,(H2,30,31,38)/t23-,24-/m0/s1 |
| InChI Key | RMYVVSKNFAMRGJ-ZEQRLZLVSA-N |
| MDL Number | MFCD28358884 |
| Molecular Formula | C29H32N6O9 |
| Molecular Weight | 608.5992 |
| SMILES | O=C(NC[C@H]1CN(C(=O)O1)c2ccc(cc2)N3CCOCC3=O)NC[C@H]4CN(C(=O)O4)c5ccc(cc5)N6CCOCC6=O |
| Synonyms | 1365267-35-1,
Urea,N,N'-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]-,
SCHEMBL806187,
1,3-bis(((S)-2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)urea,
Urea, N,N'-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-,
CS-13436,
1,3-bis-[[(s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea,
1,3-bis[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea,
N,N'-Bis[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]urea,
RMYVVSKNFAMRGJ-ZEQRLZLVSA-N,
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| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 608.223g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 608.608g/mol |
| Monoisotopic Mass | 608.223g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 159A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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