chempirical

Dechloro-rivaroxaban

C19H19N3O5SCAS 1415566-28-7401.44 g/mol

Open in Covalent MOL file
ONHNNOOOOS
AmideCarbamateEtherLactam

Properties

Molecular formula
C19H19N3O5S
Molar mass
401.44 g/mol
Exact mass
401.1045 Da
logP
1.87Crippen estimate
Polar surface area
88.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
Sin 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
1415566-28-7
SMILES
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1cccs1
InChIKey
SJVCANNMDYDYLN-HNNXBMFYSA-N
InChI
InChI=1S/C19H19N3O5S/c23-17-12-26-8-7-21(17)13-3-5-14(6-4-13)22-11-15(27-19(22)25)10-20-18(24)16-2-1-9-28-16/h1-6,9,15H,7-8,10-12H2,(H,20,24)/t15-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • N-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-2-thiophenecarboxamide
  • 2-Thiophenecarboxamide, N-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-

Work with Dechloro-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

Similar compounds

Rivaroxaban366789-02-873 % similar 5-R-Rivaroxaban865479-71-673 % similar 4-[4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-morpholin-3-one446292-10-058 % similar 4-(4-((5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride898543-06-156 % similar 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione446292-08-655 % similar 4-(4-Aminophenyl)morpholin-3-one438056-69-042 % similar 2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-dione446292-07-540 % similar (5R)-3-(3-Fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione168828-82-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook