Indacaterol
CAS No.:
1000160-87-1
M. Wt:
508.57
M. Fa:
C28H32N2O7
InChI Key:
QZZUEBNBZAPZLX-QFIPXVFZSA-N
Names and Identifiers of 1000160-87-1
CAS Number |
1000160-87-1 |
|---|---|
EC Number |
691-091-1 |
IUPAC Name |
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one |
InChI |
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 |
InChIKey |
QZZUEBNBZAPZLX-QFIPXVFZSA-N |
Canonical SMILES |
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC |
Isomeric SMILES |
CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC |
UNII |
8OR09251MQ |
Physical and chemical properties of 1000160-87-1
Melting Point |
195 °C (decomposition) |
|---|---|
Molecular Formula |
C28H32N2O7 |
Molecular Weight |
508.57 |
Solubility |
7.98e-03 g/L |
