IUPAC name
(2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1
Compound class
;
Therapeutic area
Common name
Levobetaxolol
IUPAC name
(2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
SMILES
CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1
INCHI
InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
FORMULA
C18H29NO3
Common name
Levobetaxolol
IUPAC name
(2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol
Molecular weight
307.428
clogP
3.689
clogS
-4.230
HBond Acceptor
3
HBond Donor
2
Total Polar
Surface Area
50.72
Number of Rings
2
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00216 | 4-ethylphenol |
|
Oc1ccc(cc1)CC | 0.0045 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00252 | methoxymethylcyclopropane |
|
COCC1CC1 | 0.0007 |
| FDBF00255 | ethoxymethylcyclopropane |
|
CCOCC1CC1 | 0.0007 |
| FDBF00256 | 2-methoxyethylbenzene |
|
c1(ccccc1)CCOC | 0.0014 |
| FDBF04453 | (2S)-1-(4-methylphenoxy)propan-2-ol |
|
C(O)(C)COc1ccc(cc1)C | 0.0003 |
36 ,
4
