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1160170-00-2 | Rivaroxaban Diol (Mixture of Diastereomers)
CAS No: 1160170-00-2 Catalog No: AG008X07 MDL No:
Product Description
Catalog Number:
AG008X07
Chemical Name:
Rivaroxaban Diol
(Mixture of Diastereomers)
CAS Number:
1160170-00-2
Molecular Formula:
C19H20ClN3O6S
Molecular Weight:
453.8966
IUPAC Name:
5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
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
InChI Key:
ZZABLIJBKARJCB-AWEZNQCLSA-N
SMILES:
OCCN(c1ccc(cc1)N1C[C@@H](OC1=O)CNC(=O)c1ccc(s1)Cl)C(=O)CO
UNII:
5KS80AIP17
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
453.076g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
453.894g/mol
Monoisotopic Mass:
453.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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