guaifenesin

Ligand id: 7617

Name: guaifenesin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 58.92
Molecular weight 198.09
XLogP 0.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name
3-(2-methoxyphenoxy)propane-1,2-diol
International Nonproprietary Names
INN number INN
968 guaifenesin
Synonyms
glyceryl guaiacolate | guaiphenesin | Mucinex®
Database Links
CAS Registry No. 93-14-1
ChEMBL Ligand CHEMBL980
DrugBank Ligand DB00874
GtoPdb PubChem SID 223365952
PubChem CID 6950715
Search Google for chemical match using the InChIKey HSRJKNPTNIJEKV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HSRJKNPTNIJEKV
Search PubMed clinical trials guaifenesin
Search PubMed titles guaifenesin
Search PubMed titles/abstracts guaifenesin
Search UniChem for chemical match using the InChIKey HSRJKNPTNIJEKV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HSRJKNPTNIJEKV
Wikipedia Guaifenesin
Comments
The approved drug is a racemic mixture of enantiomers; R-guaifenesin and S-guaifenesin. We show the non-stereo structure to represent the mixture.