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Rivaroxaban Impurity Iii (Potential Impurity)

CAT: 1299-RM-R210210-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R210210-01Size:10 mg
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CAS Number
2206360-74-7
Synonyms
(S) -N1-methyl-N2- ((2-oxo-3- (4- (3-oxomorpholino) phenyl) oxazolidin-5-yl) methyl) phthalamide
Molecular Formula
C23H24N4O6
Molecular Weight
452.46
Target Alternative Name
Rivaroxaban
Product Name Synonym
(S) -N1-methyl-N2- ((2-oxo-3- (4- (3-oxomorpholino) phenyl) oxazolidin-5-yl) methyl) phthalamide

Chemical Information

(S)-N1-Methyl-N2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)phthalamide
CAS Number2206360-74-7
PubChem CID124134907
IUPAC Name1-N-methyl-2-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzene-1,2-dicarboxamide
Molecular FormulaC23H24N4O6
Molecular Weight452.5
XLogP0.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity753
SMILES
CNC(=O)C1=CC=CC=C1C(=O)NC[C@H]2CN(C(=O)O2)C3=CC=C(C=C3)N4CCOCC4=O
InChI
InChI=1S/C23H24N4O6/c1-24-21(29)18-4-2-3-5-19(18)22(30)25-12-17-13-27(23(31)33-17)16-8-6-15(7-9-16)26-10-11-32-14-20(26)28/h2-9,17H,10-14H2,1H3,(H,24,29)(H,25,30)/t17-/m0/s1
InChIKey
TUNBHCZSXRKOKE-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (S)-N1-Methyl-N2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)phthalamide
CAS: 2206360-74-7
CID: 124134907
Formula: C23H24N4O6
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass452.16958450
Monoisotopic Mass452.16958450
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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