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2-Hydroxy-5-oxo-Rivaroxaban

CAT: 0572-TRC-H963135-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H963135-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160169-96-9
Synonyms
2-Hydroxy-5-oxo-Rivaroxaban
Hazard Statement
No Data Available
Smiles
OC1CN(C(=O)CO1)c2ccc(cc2)N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O
Molecular Formula
C19 H18 Cl N3 O6 S
Molecular Weight
451.881
InChI
InChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)18(26)21-7-13-8-23(19(27)29-13)12-3-1-11(2-4-12)22-9-17(25)28-10-16(22)24/h1-6,13,17,25H,7-10H2,(H,21,26)/t13-,17?/m0/s1
Additionnal Information
IUPAC name: 5-chloro-N-[[(5S)-3-[4-(2-hydroxy-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

2-Hydroxy-5-oxo-Rivaroxaban
CAS Number1160169-96-9
PubChem CID131667832
IUPAC Name5-chloro-N-[[(5S)-3-[4-(2-hydroxy-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Molecular FormulaC19H18ClN3O6S
Molecular Weight451.9
XLogP2
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity677
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N3CC(OCC3=O)O)CNC(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)18(26)21-7-13-8-23(19(27)29-13)12-3-1-11(2-4-12)22-9-17(25)28-10-16(22)24/h1-6,13,17,25H,7-10H2,(H,21,26)/t13-,17?/m0/s1
InChIKey
UBDKZHPDNBKQFQ-CWQZNGJJSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-5-oxo-Rivaroxaban
CAS: 1160169-96-9
CID: 131667832
Formula: C19H18ClN3O6S
MW: 451.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.9
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass451.0604842
Monoisotopic Mass451.0604842
Topological Polar Surface Area137 Ų
Heavy Atom Count30
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TCA30421-018-Hydroxy-2-oxo-1,2-dihydroquinoline-5-carbaldehyde
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