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Rivaroxaban Impurity 29 HCl

CAT: 1596-AR-R11163-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R11163-01Size:10 Units
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CAS Number
1429311-47-6
Synonyms
(R) -4- (4- (5- (aminomethyl) -2-oxooxazolidin-3-yl) phenyl) morpholin-3-one, hydrochloride (1:1)
Molecular Formula
C14H17N3O4. HCl
Molecular Weight
291.31 36.46
API Name
Rivaroxaban

Chemical Information

(R)-4-(4-(5-(aMinoMethyl)-2-oxooxazolidin-3-yl)phenyl)Morpholin-3-one (Hydrochloride)
CAS Number1429311-47-6
PubChem CID78358083
IUPAC Name4-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride
Molecular FormulaC14H18ClN3O4
Molecular Weight327.76
Topological Polar Surface Area85.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity409
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@H](OC3=O)CN.Cl
InChI
InChI=1S/C14H17N3O4.ClH/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18;/h1-4,12H,5-9,15H2;1H/t12-;/m1./s1
InChIKey
ITMQDYQHNKXERQ-UTONKHPSSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-(4-(5-(aMinoMethyl)-2-oxooxazolidin-3-yl)phenyl)Morpholin-3-one (Hydrochloride)
CAS: 1429311-47-6
CID: 78358083
Formula: C14H18ClN3O4
MW: 327.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass327.0985838
Monoisotopic Mass327.0985838
Topological Polar Surface Area85.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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