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Rivaroxaban Phthalimido Impurity

CAT: 1596-AR-R01766-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01766-01Size:25 Units
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CAS Number
446292-08-6
Synonyms
(S) -2- ((2-oxo-3- (4- (3-oxomorpholino) phenyl) oxazolidin-5-yl) methyl) isoindoline-1,3-dione;4-[4-[ (5S) -5-Phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone; Rivaroxaban EP Impurity G
Molecular Formula
C22H19N3O6
Molecular Weight
421.41
API Name
Rivaroxaban

Chemical Information

2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CAS Number446292-08-6
PubChem CID11690317
IUPAC Name2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
Molecular FormulaC22H19N3O6
Molecular Weight421.4
XLogP1.2
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity740
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1
InChIKey
KUQNYAUTIWQAKY-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of 2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CAS: 446292-08-6
CID: 11690317
Formula: C22H19N3O6
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass421.12738533
Monoisotopic Mass421.12738533
Topological Polar Surface Area96.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity740
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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