IUPAC name
4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol
SMILES
C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
Compound class
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Tocolytic Agents; Genito Urinary System and Sex Hormones; Sympathomimetics, Labour Repressants; Beta2 Agonists;
Therapeutic area
For the treatment and prophylaxis of premature labour.
Common name
Ritodrine
IUPAC name
4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol
SMILES
C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
INCHI
InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
FORMULA
C17H21NO3
Common name
Ritodrine
IUPAC name
4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol
Molecular weight
287.354
clogP
2.622
clogS
-3.319
HBond Acceptor
3
HBond Donor
4
Total Polar Surface Area
72.72
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00216 | 4-ethylphenol |
|
Oc1ccc(cc1)CC | 0.0045 |
| FDBF00793 | 4-(hydroxymethyl)phenol |
|
Oc1ccc(cc1)CO | 0.0038 |
| FDBF01908 | (2S)-2-(methylamino)propan-1-ol |
|
C(C)(NC)CO | 0.0010 |
| FDBF01946 | 4-[(1S)-1-hydroxypropyl]phenol |
|
c1(ccc(cc1)O)C(CC)O | 0.0007 |
| FDBF01949 | (2S)-2-(ethylamino)propan-1-ol |
|
CCNC(C)CO | 0.0003 |
14 ,
2
