5-R-Rivaroxaban

C₁₉H₁₈ClN₃O₅SCAS 865479-71-6435.88 g/mol

Open in Covalent MOL file

Amide Aryl halide Carbamate Ether Lactam

Properties

Molecular formula: C₁₉H₁₈ClN₃O₅S
Molar mass: 435.88 g/mol
Exact mass: 435.0656 Da
logP: 2.52Crippen estimate
Polar surface area: 88.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

865479-71-6

SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl

InChIKey

KGFYHTZWPPHNLQ-CQSZACIVSA-N

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

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Names and synonyms

1 names

Rivaroxaban, (R)-

Work with 5-R-Rivaroxaban

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rivaroxaban366789-02-8Enantiomer

Similar compounds

Dechloro-rivaroxaban1415566-28-773 % similar 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-morpholin-3-one446292-10-057 % similar 4-(4-((5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride898543-06-155 % similar 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione446292-08-652 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-041 % similar 2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-dione446292-07-538 % similar (5R)-3-(3-Fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione168828-82-835 % similar 5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cloxacillin61-72-3

Elsewhere

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