IUPAC name
SMILES
Compound class
Surface-Active Agents; Expectorants; Detergents; Cough and Cold Preparations; Respiratory System;
Therapeutic area
Used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions, administered by inhalation through a nebulizer or with a stream of oxygen. Also investigated for use/treatment in cystic fibrosis and pediatric indications.
Common name
Tyloxapol
IUPAC name
SMILES
INCHI
InChI=1S/C51H80O6/c1-35-25-41(50(13,14)33-47(5,6)7)29-37(44(35)56-23-20-53)27-39-31-42(51(15,16)34-48(8,9)10)30-38(45(39)57-24-21-54)26-36-28-40(17-18-43(36)55-22-19-52)49(11,12)32-46(2,3)4/h17-18,25,28-31,52-54H,19-24,26-27,32-34H2,1-16H3
FORMULA
((C2H4O)mC15H22O)n(C2H4O)m(C2H4O)mC30H46O2
Common name
Tyloxapol
IUPAC name
Molecular weight
789.177
clogP
14.527
clogS
-14.226
HBond Acceptor
6
HBond Donor
3
Total Polar Surface Area
88.38
Number of Rings
3
Rotatable Bond
22
| 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 |
| FDBF00415 | o-cresol |
|
c1c(c(ccc1)O)C | 0.0058 |
| FDBF01943 | 2-(2-methylphenoxy)ethanol |
|
C(O)COc1c(cccc1)C | 0.0007 |
| FDBF03474 | 4-isopropylphenol |
|
c1(ccc(cc1)C(C)C)O | 0.0010 |
| FDBF03475 | 2,2,4-trimethylpentane |
|
C(C)(C)(C)CC(C)C | 0.0003 |
| FDBF03476 | 4-isopropyl-2-methyl-phenol |
|
c1(ccc(cc1C)C(C)C)O | 0.0003 |
| FDBF03477 | 4-tert-butylphenol |
|
CC(c1ccc(cc1)O)(C)C | 0.0014 |
| FDBF03479 | 4-tert-butyl-2-methyl-phenol |
|
c1(ccc(cc1C)C(C)(C)C)O | 0.0003 |
21 ,
3
