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
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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
InChI Key HSRJKNPTNIJEKV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2002))
IUPAC Name Click here for help
3-(2-methoxyphenoxy)propane-1,2-diol
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
ChEMBL Ligand CHEMBL980
DrugBank Ligand DB00874
DrugCentral Ligand 1336
GtoPdb PubChem SID 223365952
PubChem CID 6950715
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Wikipedia Guaifenesin