Indacaterol acetate
CAS No.:
1000160-96-2
M. Wt:
452.54300
M. Fa:
C26H32N2O5
InChI Key:
HZHXFIDENGBQFQ-FTBISJDPSA-N
Names and Identifiers of Indacaterol acetate
CAS Number |
1000160-96-2 |
|---|---|
IUPAC Name |
acetic acid;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.C2H4O2/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;1-2(3)4/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1H3,(H,3,4)/t22-;/m0./s1 |
InChIKey |
HZHXFIDENGBQFQ-FTBISJDPSA-N |
Canonical SMILES |
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.CC(=O)O |
Isomeric SMILES |
CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.CC(=O)O |
UNII |
RYI4401DTM |
Physical and chemical properties of Indacaterol acetate
Exact Mass |
452.23100 |
|---|---|
LogP |
4.04300 |
Molecular Formula |
C26H32N2O5 |
Molecular Weight |
452.54300 |
PSA |
122.91000 |