U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28N2O3.C2H4O2
Molecular Weight 452.5427
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDACATEROL ACETATE

SMILES

CC(O)=O.CCC1=CC2=C(CC(C2)NC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1CC

InChI

InChIKey=HZHXFIDENGBQFQ-FTBISJDPSA-N
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

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H28N2O3
Molecular Weight 392.4907
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:18:07 UTC 2023
Edited
by admin
on Sat Dec 16 02:18:07 UTC 2023
Record UNII
RYI4401DTM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDACATEROL ACETATE
WHO-DD  
Common Name English
INDACATEROL ACETATE [JAN]
Common Name English
Indacaterol acetate [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
24178422
Created by admin on Sat Dec 16 02:18:07 UTC 2023 , Edited by admin on Sat Dec 16 02:18:07 UTC 2023
PRIMARY
CAS
1000160-96-2
Created by admin on Sat Dec 16 02:18:07 UTC 2023 , Edited by admin on Sat Dec 16 02:18:07 UTC 2023
PRIMARY
FDA UNII
RYI4401DTM
Created by admin on Sat Dec 16 02:18:07 UTC 2023 , Edited by admin on Sat Dec 16 02:18:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID70142865
Created by admin on Sat Dec 16 02:18:07 UTC 2023 , Edited by admin on Sat Dec 16 02:18:07 UTC 2023
PRIMARY
SMS_ID
100000183717
Created by admin on Sat Dec 16 02:18:07 UTC 2023 , Edited by admin on Sat Dec 16 02:18:07 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY