Rivaroxaban Impurity I (Potential Impurity)

CAT: 1299-RM-R210208-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R210208-01Size:10 mg

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CAS Number

721401-53-2

Synonyms

(R) -5-chloro-N- (2-hydroxy-3- ((4- (3-oxomorpholino) phenyl) amino) propyl) thiophene-2-carboxamide

Molecular Formula

C18H20ClN3O4S

Molecular Weight

409.89

Target Alternative Name

Rivaroxaban

Product Name Synonym

(R) -5-chloro-N- (2-hydroxy-3- ((4- (3-oxomorpholino) phenyl) amino) propyl) thiophene-2-carboxamide

Chemical Information

5-Chloro-N-((2R)-2-hydroxy-3-((4-(3-oxo-4-morpholinyl)phenyl)amino)propyl)-2-thiophenecarboxamide

CAS Number	721401-53-2
PubChem CID	10001574
IUPAC Name	5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
Molecular Formula	C18H20ClN3O4S
Molecular Weight	409.9
XLogP	2.8
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	519

SMILES

C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CNC(=O)C3=CC=C(S3)Cl)O

InChI

InChI=1S/C18H20ClN3O4S/c19-16-6-5-15(27-16)18(25)21-10-14(23)9-20-12-1-3-13(4-2-12)22-7-8-26-11-17(22)24/h1-6,14,20,23H,7-11H2,(H,21,25)/t14-/m1/s1

InChIKey

OKMRQXXUAFSBCM-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 721401-53-2

CID: 10001574

Formula: C18H20ClN3O4S

MW: 409.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	409.9
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	409.0863050
Monoisotopic Mass	409.0863050
Topological Polar Surface Area	119 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-R210211-01	Rivaroxaban Impurity Iv (Potential Impurity)
RM-R210212-01	Rivaroxaban Impurity V (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)
RM-R210215-01	Rivaroxaban Impurity Vii (Potential Impurity)
RM-R210209-01	Rivaroxaban Impurity Ii (Potential Impurity)
RM-R210214-01	Rivaroxaban Impurity Vi (Potential Impurity)
RM-R210217-01	Rivaroxaban Impurity I
RM-R210201-01	Rivaroxaban Impurity A
RM-R210364-01	Rivaroxaban Impurity 164
RM-R210395-01	Rivaroxaban Impurity 195