IUPAC name
1-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea
SMILES
CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O
Compound class
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; CYP3A4 Inhibitors; Beta2 Agonists;
Therapeutic area
Celiprolol is indicated for the management of mild to moderate hypertension and effort-induced angina pectoris.
Common name
Celiprolol
IUPAC name
1-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea
SMILES
CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O
INCHI
InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
FORMULA
C20H33N3O4
Common name
Celiprolol
IUPAC name
1-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea
Molecular weight
379.494
clogP
2.415
clogS
-4.425
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
90.9
Number of Rings
1
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00215 | 2-phenoxyethanol |
|
C(Oc1ccccc1)CO | 0.0072 |
| FDBF00814 | N,2-dimethylpropan-2-amine |
|
CNC(C)(C)C | 0.0058 |
| FDBF00869 | phenylurea |
|
O=C(N)Nc1ccccc1 | 0.0021 |
| FDBF03199 | 1-ethyl-3-phenyl-urea |
|
c1ccc(cc1)NC(=O)NCC | 0.0003 |
