174227-14-6

Name BenzenesulfonaMide, N-[1,6-dihydro-5-(2-Methoxyphenoxy)-6-oxo[2,2'-bipyriMidin]-4-yl]-4-(1,1-diMethylethyl)-
CAS 174227-14-6
Molecular Formula C25H25N5O5S
MDL Number MFCD25977341
Molecular Weight 507.56
MOL File 174227-14-6.mol

Chemical Properties

Melting point  >218°C (dec.)
Boiling point  690.0±65.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 4.48±0.50(Predicted)
color  Pale Beige to Light Beige
Major Application pharmaceutical (small molecule)
InChI 1S/C25H25N5O5S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)30-21-20(35-19-9-6-5-8-18(19)34-4)24(31)29-23(28-21)22-26-14-7-15-27-22/h5-15H,1-4H3,(H2,28,29,30,31)
InChIKey REEANFGHAAWSIZ-UHFFFAOYSA-N
SMILES [S](=O)(=O)(Nc2nc(nc(c2Oc4c(cccc4)OC)O)c3ncccn3)c1ccc(cc1)C(C)(C)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany  WGK 3
HS Code  2935909550
Storage Class 11 - Combustible Solids

Hazard Information

Supplier