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5-R-Rivaroxaban

CAT: 0931-T10174-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T10174-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
865479-71-6
Target
Factor Xa
Related Pathways
Metabolism
Purity
0.9975
Bioactivity
5-R-Rivaroxaban is the (R) -enantiomer of Rivaroxaban. Rivaroxaban (BAY 59-7939) is a highly potent and selective direct Factor Xa (FXa) inhibitor with an IC50 of 0.7 nM and a Ki of 0.4 nM.
Smiles
ClC1=CC=C(S1)C(=O)NCC1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O
Molecular Formula
C19H18ClN3O5S
Molecular Weight
435.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°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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