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Rivaroxaban impurity 8 (Standard)

CAT: 0804-HY-I0452R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-I0452R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rivaroxaban impurity 8 (Standard) is the analytical standard of Rivaroxaban impurity 8. This product is intended for research and analytical applications.
CAS Number
1365267-36-2
UNSPSC
12352005
Target
Drug Intermediate; Reference Standards
Related Pathways
Others
Field of Research
Others
Smiles
O=C1COCCN1C2=CC=C(N3C(O[C@@H](CNC(C4=C(C(NC[C@H](OC5=O)CN5C6=CC=C(N7CCOCC7=O)C=C6)=O)C=CC=C4)=O)C3)=O)C=C2
Molecular Formula
C36H36N6O10
Molecular Weight
712.71
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

1,2-Benzenedicarboxamide, N1,N2-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-
CAS Number1365267-36-2
PubChem CID56940810
IUPAC Name1-N,2-N-bis[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzene-1,2-dicarboxamide
Molecular FormulaC36H36N6O10
Molecular Weight712.7
XLogP1.1
Topological Polar Surface Area176
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count52
Formal Charge0
Complexity1250
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=CC=C4C(=O)NC[C@H]5CN(C(=O)O5)C6=CC=C(C=C6)N7CCOCC7=O
InChI
InChI=1S/C36H36N6O10/c43-31-21-49-15-13-39(31)23-5-9-25(10-6-23)41-19-27(51-35(41)47)17-37-33(45)29-3-1-2-4-30(29)34(46)38-18-28-20-42(36(48)52-28)26-11-7-24(8-12-26)40-14-16-50-22-32(40)44/h1-12,27-28H,13-22H2,(H,37,45)(H,38,46)/t27-,28-/m0/s1
InChIKey
YIDJJGFGEMPGOA-NSOVKSMOSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzenedicarboxamide, N1,N2-bis[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-
CAS: 1365267-36-2
CID: 56940810
Formula: C36H36N6O10
MW: 712.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight712.7
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass712.24929137
Monoisotopic Mass712.24929137
Topological Polar Surface Area176 Ų
Heavy Atom Count52
Formal Charge0
Complexity1250
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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