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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O2
Molecular Weight 124.1372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUAIACOL

SMILES

COC1=C(O)C=CC=C1

InChI

InChIKey=LHGVFZTZFXWLCP-UHFFFAOYSA-N
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

HIDE SMILES / InChI

Molecular Formula C7H8O2
Molecular Weight 124.1372
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Guaiacol is a naturally occurring organic compound first isolated by Otto Unverdorben in 1826. Although it is biosynthesized by a variety of organisms, this yellowish aromatic oil is usually derived from guaiacum or wood creosote. Guaiacol is used as a reducing co-substrate for COX reactions. It is mainly used as expectorant, antiseptic. It is used as cough suppressant, it is an ingredient of Pulmo Bailly (UK). Pulmo Bailly Cough Expectorant is indicated for relief for cough symptoms that are associated with a flu, cold, or other infection. It contains active ingredients, Codeine and Guajacol, which reduce discomfort and the urge to cough. Each 5 ml tablespoon of Pulmo Bailly contains 75 mg guaiacol and 7 mg codeine.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.03 µM [IC50]
0.18 mM [IC50]
2.94 µM [Ki]
60.2 µM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
Pulmo Bailly

PubMed

Sample Use Guides

In Vivo Use Guide
Adults: Up to two 5 ml teaspoonfuls should be taken in half a small glass of water three times daily before meals. A further two teaspoonfuls should be taken at bedtime to encourage undisturbed sleep. Sugar or fruit squash may be added if desired. Each 5 ml tablespoon of Pulmo Bailly contains 75 mg guaiacol and 7 mg codeine.
Route of Administration: Oral
In Vitro Use Guide
The 50% inhibition concentration required to decrease the cellular DNA contents by guaiacol was 9.8 mM in human dental pulp fibroblasts
Substance Class Chemical
Record UNII
6JKA7MAH9C
Record Status Validated (UNII)
Record Version