Rivaroxaban Dialkyl Impurity

CAT: 1596-AR-R09938-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R09938-01Size:25 Units

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CAS Number

2206360-84-9

Synonyms

4-[4-[Bis (3-chloro-2-hydroxypropyl) amino]phenyl]-3-morpholinone

Molecular Formula

C16H22Cl2N2O4

Molecular Weight

377.26

API Name

Rivaroxaban

Chemical Information

4-(4-(Bis(3-chloro-2-hydroxypropyl)amino)phenyl)morpholin-3-one

CAS Number	2206360-84-9
PubChem CID	151731025
IUPAC Name	4-[4-[bis(3-chloro-2-hydroxypropyl)amino]phenyl]morpholin-3-one
Molecular Formula	C16H22Cl2N2O4
Molecular Weight	377.3
XLogP	1
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	382

SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N(CC(CCl)O)CC(CCl)O

InChI

InChI=1S/C16H22Cl2N2O4/c17-7-14(21)9-19(10-15(22)8-18)12-1-3-13(4-2-12)20-5-6-24-11-16(20)23/h1-4,14-15,21-22H,5-11H2

InChIKey

RKOASLBCYJZDDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2206360-84-9

CID: 151731025

Formula: C16H22Cl2N2O4

MW: 377.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.3
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	376.0956626
Monoisotopic Mass	376.0956626
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes