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Dechloro-Rivaroxaban

CAT: 0572-TRC-D226610-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D226610-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1415566-28-7
Synonyms
N-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide; Rivaroxaban Impurity E
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(NC[C@H]1CN(C(=O)O1)c2ccc(cc2)N3CCOCC3=O)c4cccs4
Molecular Formula
C19 H19 N3 O5 S
Molecular Weight
401.44
InChI
InChI=1S/C19H19N3O5S/c23-17-12-26-8-7-21(17)13-3-5-14(6-4-13)22-11-15(27-19(22)25)10-20-18(24)16-2-1-9-28-16/h1-6,9,15H,7-8,10-12H2,(H,20,24)/t15-/m0/s1
Additionnal Information
IUPAC name: N-[[(5S)-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

Dechloro-rivaroxaban
CAS Number1415566-28-7
PubChem CID66926287
IUPAC NameN-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Molecular FormulaC19H19N3O5S
Molecular Weight401.4
XLogP1.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity610
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=CS4
InChI
InChI=1S/C19H19N3O5S/c23-17-12-26-8-7-21(17)13-3-5-14(6-4-13)22-11-15(27-19(22)25)10-20-18(24)16-2-1-9-28-16/h1-6,9,15H,7-8,10-12H2,(H,20,24)/t15-/m0/s1
InChIKey
SJVCANNMDYDYLN-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Dechloro-rivaroxaban
CAS: 1415566-28-7
CID: 66926287
Formula: C19H19N3O5S
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass401.10454189
Monoisotopic Mass401.10454189
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity610
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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