Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 334,644Xls
2D Structure
Also known as: 1000160-96-2, Ryi4401dtm, Indacaterol acetate (jan), Indacaterol acetate [jan], Acetic acid;5-[(1r)-2-[(5,6-diethyl-2,3-dihydro-1h-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one, Unii-ryi4401dtm
Molecular Formula
C26H32N2O5
Molecular Weight
452.5  g/mol
InChI Key
HZHXFIDENGBQFQ-FTBISJDPSA-N
FDA UNII
RYI4401DTM

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 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
2.1.2 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
2.1.3 InChI Key
HZHXFIDENGBQFQ-FTBISJDPSA-N
2.1.4 Canonical SMILES
CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC.CC(=O)O
2.1.5 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
2.2 Other Identifiers
2.2.1 UNII
RYI4401DTM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1000160-96-2

2. Ryi4401dtm

3. Indacaterol Acetate (jan)

4. Indacaterol Acetate [jan]

5. Acetic Acid;5-[(1r)-2-[(5,6-diethyl-2,3-dihydro-1h-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one

6. Unii-ryi4401dtm

7. Indacaterol Acetic

8. Schembl362019

9. Chembl4297657

10. Dtxsid70142865

11. Ex-a6068

12. Indacaterol Acetate [who-dd]

13. D11009

14. Q27288350

15. (r)-5-[2-(5,6-diethyl-indan-2-ylamino)-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one Acetate

2.4 Create Date
2008-02-26
3 Chemical and Physical Properties
Molecular Weight 452.5 g/mol
Molecular Formula C26H32N2O5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass452.23112213 g/mol
Monoisotopic Mass452.23112213 g/mol
Topological Polar Surface Area119 Ų
Heavy Atom Count33
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2