CAS 865479-71-6 | 5-R-Rivaroxaban | CAS Number 865479-71-6

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 865479-71-6

865479-71-6 | 5-R-Rivaroxaban

CAS No: 865479-71-6 Catalog No: AG00GU05 MDL No:MFCD17171369

Product Description

Catalog Number:

AG00GU05

Chemical Name:

5-R-Rivaroxaban

CAS Number:

865479-71-6

Molecular Formula:

C19H18ClN3O5S

Molecular Weight:

435.8813

MDL Number:

MFCD17171369

IUPAC Name:

5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

InChI:

InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m1/s1

InChI Key:

KGFYHTZWPPHNLQ-CQSZACIVSA-N

SMILES:

O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl

Properties

Complexity:

645

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

435.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

435.879g/mol

Monoisotopic Mass:

435.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3- [4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene- 2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor.	Journal of medicinal chemistry 20050922