| CAS Number | 1151893-81-0 |
| Catalog Number | AG009458(AGN-PC-0WH67F) |
| Chemical Name | Rivaroxaban Impurity |
| IUPAC Name | 2-[2-[N-(5-chlorothiophene-2-carbonyl)-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid |
| InChI | InChI=1S/C24H21Cl2N3O7S2/c25-19-7-5-17(37-19)22(32)27-11-16-12-29(24(34)36-16)15-3-1-14(2-4-15)28(9-10-35-13-21(30)31)23(33)18-6-8-20(26)38-18/h1-8,16H,9-13H2,(H,27,32)(H,30,31)/t16-/m0/s1 |
| InChI Key | XEOFNNZMYBBFPT-INIZCTEOSA-N |
| MDL Number | MFCD28358887 |
| Molecular Formula | C24H21Cl2N3O7S2 |
| Molecular Weight | 598.4754 |
| SMILES | ClC1=CC=C(S1)C(=O)N(C1=CC=C(C=C1)N1C(O[C@H](C1)CNC(=O)C=1SC(=CC1)Cl)=O)CCOCC(=O)O |
| Synonyms | 1151893-81-0,
SCHEMBL1634462,
(S)-2-(2-(5-CHLORO-N-(4-(5-((5-CHLOROTHIOPHENE-2-CARBOXAMIDO)METHYL)-2-OXOOXAZOLIDIN-3-YL)PHENYL)THIOPHENE-2-CARBOXAMIDO)ETHOXY)ACETIC ACID,
XEOFNNZMYBBFPT-INIZCTEOSA-N,
Acetic acid, 2-[2-[[(5-chloro-2-thienyl)carbonyl][4-[(5S)-5-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]phenyl]amino]ethoxy]-,
|
| Complexity | 880 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 597.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 598.466g/mol |
| Monoisotopic Mass | 597.02g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 182A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number