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Rivaroxaban impurity 3 (Standard)

CAT: 0804-HY-I0372R-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-I0372R-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rivaroxaban impurity 3 (Standard) is the analytical standard of Rivaroxaban impurity 3. This product is intended for research and analytical applications.
CAS Number
1365267-35-1
UNSPSC
12352005
Target
Drug Intermediate; Reference Standards
Related Pathways
Others
Field of Research
Others
Smiles
O=C1N(C2=CC=C(N3C[C@@H](OC3=O)CNC(NC[C@H]4CN(C5=CC=C(N6CCOCC6=O)C=C5)C(O4)=O)=O)C=C2)CCOC1
Molecular Formula
C29H32N6O9
Molecular Weight
608.60
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

1,3-bis(((S)-2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)urea
CAS Number1365267-35-1
PubChem CID56943041
IUPAC Name1,3-bis[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea
Molecular FormulaC29H32N6O9
Molecular Weight608.6
XLogP0
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1010
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)NC[C@H]4CN(C(=O)O4)C5=CC=C(C=C5)N6CCOCC6=O
InChI
InChI=1S/C29H32N6O9/c36-25-17-41-11-9-32(25)19-1-5-21(6-2-19)34-15-23(43-28(34)39)13-30-27(38)31-14-24-16-35(29(40)44-24)22-7-3-20(4-8-22)33-10-12-42-18-26(33)37/h1-8,23-24H,9-18H2,(H2,30,31,38)/t23-,24-/m0/s1
InChIKey
RMYVVSKNFAMRGJ-ZEQRLZLVSA-N
Chemical Structure
2D Structure
2D structure of 1,3-bis(((S)-2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)urea
CAS: 1365267-35-1
CID: 56943041
Formula: C29H32N6O9
MW: 608.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.6
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass608.22307662
Monoisotopic Mass608.22307662
Topological Polar Surface Area159 Ų
Heavy Atom Count44
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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