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Rivaroxaban Diol 5mg

CAT: 0628-A12411-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12411-5Size:5 mg
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CAS Number
1160170-00-2

Chemical Information

5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CAS Number1160170-00-2
PubChem CID46782891
IUPAC Name5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Molecular FormulaC19H20ClN3O6S
Molecular Weight453.9
XLogP1.5
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity633
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N(CCO)C(=O)CO)CNC(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C19H20ClN3O6S/c20-16-6-5-15(30-16)18(27)21-9-14-10-23(19(28)29-14)13-3-1-12(2-4-13)22(7-8-24)17(26)11-25/h1-6,14,24-25H,7-11H2,(H,21,27)/t14-/m0/s1
InChIKey
ZZABLIJBKARJCB-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CAS: 1160170-00-2
CID: 46782891
Formula: C19H20ClN3O6S
MW: 453.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.9
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass453.0761342
Monoisotopic Mass453.0761342
Topological Polar Surface Area148 Ų
Heavy Atom Count30
Formal Charge0
Complexity633
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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