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ent-Rivaroxaban

CAT: 0572-TRC-R538005-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R538005-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
865479-71-6
Synonyms
5-Chloro-N-[[(5R)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide; Rivaroxaban Impurity A
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Clc1ccc(s1)C(=O)NC[C@@H]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O
Molecular Formula
C19 H18 Cl N3 O5 S
Molecular Weight
435.88
InChI
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m1/s1
Additionnal Information
IUPAC name: 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Rivaroxaban, (R)-
CAS Number865479-71-6
PubChem CID11524901
IUPAC Name5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.9
XLogP2.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m1/s1
InChIKey
KGFYHTZWPPHNLQ-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Rivaroxaban, (R)-
CAS: 865479-71-6
CID: 11524901
Formula: C19H18ClN3O5S
MW: 435.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.9
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass435.0655696
Monoisotopic Mass435.0655696
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
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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