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Rivaroxaban Impurity E

CAT: 1299-RM-R210205-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R210205-03Size:50 mg
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CAS Number
1770812-37-7
Synonyms
(S) -4,5-dichloro-N- ((2-oxo-3- (4- (3-oxomorpholino) phenyl) oxazolidin-5-yl) methyl) thiophene-2-carboxamide
Molecular Formula
C19H17Cl2N3O5S
Molecular Weight
470.33
Target Alternative Name
Rivaroxaban
Product Name Synonym
(S) -4,5-dichloro-N- ((2-oxo-3- (4- (3-oxomorpholino) phenyl) oxazolidin-5-yl) methyl) thiophene-2-carboxamide

Chemical Information

4-Chlororivaroxaban
CAS Number1770812-37-7
PubChem CID78358408
IUPAC Name4,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Molecular FormulaC19H17Cl2N3O5S
Molecular Weight470.3
XLogP3.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity679
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC(=C(S4)Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O5S/c20-14-7-15(30-17(14)21)18(26)22-8-13-9-24(19(27)29-13)12-3-1-11(2-4-12)23-5-6-28-10-16(23)25/h1-4,7,13H,5-6,8-10H2,(H,22,26)/t13-/m0/s1
InChIKey
CCLKYVZRBJQFLK-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlororivaroxaban
CAS: 1770812-37-7
CID: 78358408
Formula: C19H17Cl2N3O5S
MW: 470.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass469.0265972
Monoisotopic Mass469.0265972
Topological Polar Surface Area116 Ų
Heavy Atom Count30
Formal Charge0
Complexity679
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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