IUPAC name
8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazine-3,6-diol hydrochloride
SMILES
Cl.[H][C@](O)(CNC(C)(C)CC1=CC=C(OC)C=C1)C1=C2OCC(O)=NC2=CC(O)=C1
Compound class
Bronchodilator Agents; Adrenergic beta-1 Receptor Agonists; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; Beta2 Agonists;
Therapeutic area
Olodaterol is indicated for use in chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema. It is not indicated for the treatment of acute exacerbations of COPD or for the treatment of asthma.
Common name
Olodaterol
IUPAC name
8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazine-3,6-diol hydrochloride
SMILES
Cl.[H][C@](O)(CNC(C)(C)CC1=CC=C(OC)C=C1)C1=C2OCC(O)=NC2=CC(O)=C1
INCHI
InChI=1S/C21H26N2O5.ClH/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);1H/t18-;/m0./s1
FORMULA
C21H27ClN2O5
Common name
Olodaterol
IUPAC name
8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazine-3,6-diol hydrochloride
Molecular weight
386.442
clogP
3.423
clogS
-4.400
HBond Acceptor
6
HBond Donor
4
Total Polar Surface Area
103.54
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00217 | 2-(isopropylamino)ethanol |
|
C(NC(C)C)CO | 0.0086 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF00815 | 2-(tert-butylamino)ethanol |
|
C(CO)NC(C)(C)C | 0.0048 |
| FDBF04107 | N,2-dimethyl-1-phenyl-propan-2-amine |
|
c1(ccccc1)CC(C)(C)NC | 0.0003 |
| FDBF04108 | 1-(4-methoxyphenyl)-2-methyl-propan-2-amine |
|
c1(ccc(cc1)OC)CC(C)(C)N | 0.0003 |
