5-R-Rivaroxaban - ≥99% , CAS No.865479-71-6

CAS: 865479-71-6 Cat. No.: R127866 Molecular Weight: 435.88 PubChem CID: 11524901

GRADE & PURITY ≥99%

Synonyms

BAY 59-7939 (Rivaroxaban) | Rivaroxaban R-isomer | BCP09021 | Rivaroxaban impurity A [EP] | BDBM13001 | 5-Chloro-N-({(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | DTXSID20468042 | 2-Thiophenecarboxamide,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5-R-Rivaroxaban is (R) enantiomer of Rivaroxaban. Rivaroxaban (Xarelto; BAY 59-7939) is a novel, oral, direct Factor Xa (FXa) inhibitor in late-stage development for the prevention and treatment of thromboembolic disorders.

Specifications

Synonyms

BAY 59-7939 (Rivaroxaban) | Rivaroxaban R-isomer | BCP09021 | Rivaroxaban impurity A [EP] | BDBM13001 | 5-Chloro-N-({(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1, 3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide | DTXSID20468042 | 2-Thiophenecarboxamide,

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504766518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766518
• Canonical Smiles: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl
• IUPAC Name: 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• InChIKey: KGFYHTZWPPHNLQ-CQSZACIVSA-N
• 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
• Isomeric SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl
• PubChem CID: 11524901
• Molecular Weight: 435.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Thiophene carboxamides 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Oxazolidinones Aryl chlorides Benzene and substituted derivatives Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Lactams Organic carbonic acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Thiophene - Tertiary carboxylic acid amide - Oxazolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carbonic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

F10 Tclin Coagulation factor X (13 Activities)

Discover Target: F10

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO
• Molecular Weight: 435.900 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 435.066 Da
• Monoisotopic Mass: 435.066 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 645.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1