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 |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF01327 | 1,1-diethylurea |
|
C(C)N(CC)C(=O)N | 0.0007 |
| FDBF03200 | 1-(3-acetylphenyl)-3-ethyl-urea |
|
c1c(cc(cc1)NC(=O)NCC)C(=O)C | 0.0003 |
| FDBF03201 | 1-ethyl-3-(4-methoxyphenyl)urea |
|
c1(ccc(cc1)NC(=O)NCC)OC | 0.0003 |
