187227-45-8

Name OSELTAMIVIR ACID
CAS 187227-45-8
Molecular Formula C14H24N2O4
MDL Number MFCD00953940
Molecular Weight 284.354
MOL File 187227-45-8.mol

Chemical Properties

Melting point  183-185°C
Boiling point  508.7±50.0 °C(Predicted)
density  1.15±0.1 g/cm3(Predicted)
storage temp.  -20?C Freezer, Under Inert Atmosphere
solubility  ≥14.2 mg/mL in DMSO; ≥46.1 mg/mL in H2O with gentle warming; ≥97 mg/mL in EtOH with gentle warming
form  neat
pka 4.13±0.60(Predicted)
color  White to off-white
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
InChIKey NENPYTRHICXVCS-YNEHKIRRSA-N
SMILES C1(C(O)=O)C[C@H](N)[C@@H](NC(C)=O)[C@H](OC(CC)CC)C=1
EPA Substance Registry System 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)- (187227-45-8)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  9999999999
Storage Class 11 - Combustible Solids

Hazard Information

Supplier