149222-15-1

Name SalbutaMol DiMer
CAS 149222-15-1
Molecular Formula C26H40N2O5
Molecular Weight 460.61
MOL File 149222-15-1.mol

Chemical Properties

Boiling point  681.1±50.0 °C(Predicted)
density  1.176±0.06 g/cm3(Predicted)
pka 9.96±0.50(Predicted)
InChI InChI=1S/C26H40N2O5/c1-25(2,3)27-13-22(31)16-7-8-21(30)17(9-16)10-19-11-18(12-20(15-29)24(19)33)23(32)14-28-26(4,5)6/h7-9,11-12,22-23,27-33H,10,13-15H2,1-6H3
InChIKey YGTPUUFMIIQKAR-UHFFFAOYSA-N
SMILES c1c(O)c(Cc2c(O)c(CO)cc(C(O)CNC(C)(C)C)c2)cc(C(O)CNC(C)(C)C)c1

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