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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O5
Molecular Weight 386.4415
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Olodaterol, (S)-

SMILES

COC1=CC=C(CC(C)(C)NC[C@@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1

InChI

InChIKey=COUYJEVMBVSIHV-GOSISDBHSA-N
InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26N2O5
Molecular Weight 386.4415
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 20:02:15 GMT 2023
Edited
by admin
on Sat Dec 16 20:02:15 GMT 2023
Record UNII
B6QJ6CAW2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Olodaterol, (S)-
Common Name English
2H-1,4-Benzoxazin-3(4H)-one, 6-hydroxy-8-[(1S)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-
Systematic Name English
6-Hydroxy-8-[(1S)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-2H-1,4-benzoxazin-3(4H)-one
Systematic Name English
(S)-Olodaterol
Common Name English
Code System Code Type Description
CAS
868049-50-7
Created by admin on Sat Dec 16 20:02:16 GMT 2023 , Edited by admin on Sat Dec 16 20:02:16 GMT 2023
PRIMARY
PUBCHEM
46232974
Created by admin on Sat Dec 16 20:02:16 GMT 2023 , Edited by admin on Sat Dec 16 20:02:16 GMT 2023
PRIMARY
FDA UNII
B6QJ6CAW2G
Created by admin on Sat Dec 16 20:02:16 GMT 2023 , Edited by admin on Sat Dec 16 20:02:16 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER