English name: Rivaroxaban

CAS number: 366789-02-8

Molecular formula: C19H18ClN3O5S

Molecular weight: 435.88

EINECS number: 685-132-2

MDL No. : MFCD11974010

Stats

Melting point 228-229°C

Boiling point 732.6±60.0 °C(Predicted)

Density 1.460± 0.06g /cm3(Predicted)

Storage conditions Inert atmosphere,2-8°C

insoluble in H2O; insoluble in EtOH;  ≥13.9 mg/mL in DMSO with gentle warming

Acidity coefficient (pKa)13.36±0.46(Predicted)

Form solid

InChIInChI=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/h 1-6, 14 H, 7-11 h2, (H, 21, 25)/t14 - / m0 / s1

InChIKeyKGFYHTZWPPHNLQ-AWEZNQCLSA-N

SMILESC1(C(NC[C@@H]2OC(=O)N(C3=CC=C(N4CCOCC4=O)C=C3)C2)=O)SC(Cl)=CC=1

Safety information

GHS hazard pictograms GHS Hazard pictograms

GHS09

Risk description H411