IUPAC name
4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol
SMILES
CC(COC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1
Compound class
Sympathomimetics; Vasodilator Agents; Tocolytic Agents; Adrenergic beta-Agonists; Cardiovascular System; Peripheral Vasodilators; 2-Amino-1-Phenylethanol Derivatives;
Therapeutic area
Common name
Isoxsuprine
IUPAC name
4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol
SMILES
CC(COC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1
INCHI
InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
FORMULA
C18H23NO3
Common name
Isoxsuprine
IUPAC name
4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenol
Molecular weight
301.380
clogP
2.860
clogS
-3.508
HBond Acceptor
3
HBond Donor
3
Total Polar Surface Area
61.72
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00243 | N-ethylpropan-2-amine |
|
C(C)(C)NCC | 0.0045 |
| FDBF00793 | 4-(hydroxymethyl)phenol |
|
Oc1ccc(cc1)CO | 0.0038 |
| FDBF00796 | propoxybenzene |
|
O(CCC)c1ccccc1 | 0.0062 |
| FDBF01946 | 4-[(1S)-1-hydroxypropyl]phenol |
|
c1(ccc(cc1)O)C(CC)O | 0.0007 |
| FDBF02051 | (2R)-1-phenoxypropan-2-amine |
|
c1(ccccc1)OCC(N)C | 0.0007 |
| FDBF03833 | (2R)-2-(isopropylamino)propan-1-ol |
|
C(C)(CO)NC(C)C | 0.0003 |
16 ,
2
