guaifenesin   Click here for help

GtoPdb Ligand ID: 7617

Synonyms: glyceryl guaiacolate | guaiphenesin | Mucinex®
Approved drug
guaifenesin is an approved drug (FDA (2002))
Compound class: Synthetic organic
Comment: The approved drug is a racemic mixture of enantiomers; R-guaifenesin and S-guaifenesin. We show the non-stereo structure to represent the mixture.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 58.92
Molecular weight 198.09
XLogP 0.2
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCC(COc1ccccc1OC)O
Isomeric SMILES OCC(COc1ccccc1OC)O
InChI InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
968 guaifenesin
Synonyms Click here for help
glyceryl guaiacolate | guaiphenesin | Mucinex®
Database Links Click here for help
CAS Registry No. 93-14-1
DrugBank Ligand DB00874
DrugCentral Ligand 1336
GtoPdb PubChem SID 223365952
PubChem CID 3516
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
UniChem Compound Search for chemical match using the InChIKey HSRJKNPTNIJEKV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HSRJKNPTNIJEKV-UHFFFAOYSA-N
Wikipedia Guaifenesin