GUAIFENESIN

Search structure
Trade Names:
Synonyms:
Status: Approved (2002)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R05CA03
UNII: 495W7451VQ

Structure
InChI Key HSRJKNPTNIJEKV-UHFFFAOYSA-N
Smile COc1ccccc1OCC(O)CO
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O4
Molecular Weight 198.22
AlogP 0.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 58.92
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sinusitis 4 D012852 ClinicalTrials
Respiratory Tract Infections 3 D012141 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Common Cold 2 D003139 ClinicalTrials

Related Entries

MCS

Mixture
Mixture
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
23.81
Injury, poisoning and procedural complications
21.6
Gastrointestinal disorders
12.41
Respiratory, thoracic and mediastinal disorders
9.93
Nervous system disorders
8.27
Cardiac disorders
4.96
Psychiatric disorders
4.78
Skin and subcutaneous tissue disorders
2.76
Vascular disorders
2.57
Investigations
2.3

Cross References

Resources Reference
CAS NUMBER 93-14-1
ChEBI 5551
ChEMBL CHEMBL980
DrugBank DB00874
DrugCentral 1336
EPA CompTox DTXSID5023114
FDA SRS 495W7451VQ
Human Metabolome Database HMDB0004998
Guide to Pharmacology 7617
PharmGKB PA449818
PubChem 3516
SureChEMBL SCHEMBL4321
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