Guaifenesin
PubChem CID: 3516
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| Compound Synonyms | guaifenesin, 93-14-1, Guaiphenesin, Guaiacol glyceryl ether, 3-(2-methoxyphenoxy)propane-1,2-diol, GLYCERYL GUAIACOLATE, Methphenoxydiol, Glycerol guaiacolate, Guaiphenesine, Robitussin, Mucinex, Aeronesin, Breonesin, Bronchol, Hustosil, Aresol, Propanosedyl, Calmipan, Cortussin, Dorassin, Flartussin, Guaiacuran, Guaiacurane, Guaiamar, Guaianesin, Guaiphesin, Myocaine, Myoscain, Creson, Gaiamar, Hytuss, Myocain, Reduton, Dilyn, Resyl, Glycerin guaiacolate, 3-(o-Methoxyphenoxy)-1,2-propanediol, Glyceryl guaiacol, Methoxypropanediol, Metossipropandiolo, Metfenossidiolo, Amonidrin, Glycotuss, Guaifenesine, Guajacuran, Guajamar, Guayanesin, Guiaphenesin, Hustodil, Mintosyl, Miocaina, Miocurin, Miorelax, Mucostop, Muskurelax, Myorelax, Myoscaine, Neuroton, Neurotone, Reorganin, Respenyl, Ritussin, Tenntuss, Glyceryl guaicolate, Glyceryl guiacolate, Guanar, Oresol, Oreson, Respil, Sirotol, Gvaja, Resil, Tolyn, Tulyl, Tulyn, Guaiacol glycerol ether, Guaiacolglicerinetere, Guaia-rom, Relaxil G, Relaxyl-G, Guaicol glyceryl ether, Gnaifenesin, Glyceryl guaiacyl ether, Guaiacyl glyceryl ether, Guaicol glycerine ether, Organidin NR, o-Methoxyphenyl glyceryl ether, Glycero-guaiacol ether, Guaiacol glycerin ether, Guaifenesina, Guaifenesinum, Amonidren, Pneumomist, 1,2-Propanediol, 3-(2-methoxyphenoxy)-, Trecid, Glycerylguaiacol, Glyceryl guaiacolate ether, 3-(2-Methoxyphenoxy)-1,2-propanediol, Glycerin monoguaiacol ether, Guajacol-glycerinaether, Glyceryl guaiacol ether, 3-o-Methoxyphenoxypropane 1:2-diol, Glycerol mono(2-methoxyphenyl) ether, Guaifensin, rac Guaifenesin, Actifed C, Guaiacolic acid, ester with glycerol, MY 301, SL-90, XL-90, 1,2-Propanediol, 3-(o-methoxyphenoxy)-, alpha-Glyceryl guaiacol ether, 1,2-Dihydroxy-3-(2-methoxyphenoxy)propane, alpha-Glyceryl guaiacolate ether, G 87, Glycerol-alpha-guajakolether, NSC-62112, component of Quibron, 3-(o-Methoxyphenoxy)-propanediol-1,2, component of Hycotuss, Glycerol .alpha.-guiacyl ether, .alpha.-Glyceryl guaiacol ether, Glycerol .alpha.-guaiacyl ether, Guajacol-.alpha.-glycerin-ether, component of Brondecon, DTXSID5023114, .alpha.-Glyceryl guaiacolate ether, CVT-2534, Glycerol .alpha.-monoguaiacol ether, NSC62112, component of Quibron Plus, MFCD00016873, 1,2,3-Propanetriol, ether with 2-methoxyphenol, 495W7451VQ, Glycerol .alpha.-(o-methoxyphenyl)ether, Glycerol .alpha.-(2-methoxyphenyl) ether, CHEBI:5551, component of Colrex Expectorant, DTXCID403114, 2-G, 2/G, OBREDON COMPONENT GUAIFENESIN, FLOWTUSS COMPONENT GUAIFENESIN, MUCINEX D COMPONENT GUAIFENESIN, MUCINEX DM COMPONENT GUAIFENESIN, Guaiphenezine, Equicol, Glycodex, Colrex expectorant, GUAIFENESIN (MART.), GUAIFENESIN [MART.], GUAIFENESIN (USP-RS), GUAIFENESIN [USP-RS], (+/-)-3-(O-METHOXYPHENOXY)-1,2-PROPANEDIOL, GUAIFENESIN (EP MONOGRAPH), GUAIFENESIN [EP MONOGRAPH], Tenntus, Tussin, GUAIFENESIN (USP MONOGRAPH), GUAIFENESIN [USP MONOGRAPH], Glycerinmonoguaiacol ether, Benylin-E, Lufyllin-GG, Aether glycerinoguaiacolicus, Guaifenesine [INN-French], Guaifenesinum [INN-Latin], Guajacol-alpha-glycerinether, Tedral Expectorant, (component of) Deconsal II, Glycerol alpha-guiacyl ether, Guaifenesina [INN-Spanish], Glycerol alpha-guaiacyl ether, MY-301, Guaiacolate, Glycerol, Glycerol alpha-monoguaiacol ether, Glycerol-alpha-monoguaiacol ether, Guajacol-glycerinaether [German], HSDB 3089, SR-01000737186, Glycerol mono(2-methoxyphenyl)ether, Ether, Guaiacol Glyceryl, Glyceryl Ether, Guaiacol, EINECS 202-222-5, Glycerol-alpha-guajakolether [Czech], NSC 62112, Glycerol alpha-(o-methoxyphenyl)ether, Glycerol alpha-(o-methoxyphenyl) ether, Glycerol alpha-(2-methoxyphenyl) ether, BRN 2049375, Guiafenesin, Guifenesin, Gecolate, Guailaxin, Liqufruta, Pharbinex, WalgreenCherry, glycerin ether, Mucosa, Guaap, Mucus, Akin, BroncomarSF, Glyc, wal tussin, Sunmark Tussin, AI3-24947, Gadavyt Cough, Siltussin Sa, TusnelEX, Tussin Chest, Geri-Tussin, Muca Clear, Ultra Tuss, Air Power, Cough Out, Rompe PechoEX, Rompe PechoSF, UNII-495W7451VQ, DRx Choice, Mucosa Guifenesin, Q-Tussin, Reeses TABtussin, Guaifenesin,(S), Mucus Relief Max, CVS Adult Mucus, Simpex Guaifenesin, Tussin Expectorant, welby mucus relief, CAS-93-14-1, Topcare Mucus ER, Leader Cough Tabs, NCGC00016350-01, Hustosil (TN), Marcs Mucus Relief, Organ-I Nr, Topco Mucus Relief, Prestwick_231, TopCare Tab Tussin, basic care mucus er, careone mucus relief, Curist Mucus Relief, Guaifenesin 200mg, Guaifenesin 400mg, Kroger Mucus Relief, Palatos Expectorante, Ritussin Expectorant, Safrel Mucus Relief, Entex (Salt/Mix), TussinEXPECTORANT, caring mill mucus er, Guaifenesin Injection, EXCAUGH, HUMABID, MucusExtended Release, MUCUSOL, Sunmark Mucus Relief, Dg Health Mucus ER, Dimacol (Salt/Mix), Kwelcof (Salt/Mix), Good Sense Mucus ER, Guaifenesin 200 mg, Guaifenesin 400 mg, Guaifenesin 600 mg, Robafen Cough Formula, (2S)-3-(2-methoxyphenoxy)propane-1,2-diol, Hycotuss (Salt/Mix), DRx ChoiceFruit Punch, Childrens Mucus Relief, Guaifenesin [USAN:USP:INN:BAN:JAN], Refenesen Mucus Relief, Brondecon (Salt/Mix), Congestac (Salt/Mix), Giltuss EX Expectorant, MucinexMaximum Strength, Selecthealth Tussin DM, Triaminic (Salt/Mix), Broncomar ExpectorantSF, dg health mucus er max, Dilor G (Salt/Mix), Geri-tussin Expectorant, Guaifenesin (Standard), Guaifenesin 1200 mg, Kids-EEZEChest Relief, Rugby Cough Guaifenesin, Spectrum_000835, Pneumomist (Salt/Mix), Q-Tussin (Salt/Mix), 12 Hour Mucus Relief, Glycerol-a-guajakolether, GUAIFENESIN-ODAAT, Mucus Relief 600 mg, 3-(2-Methoxy-phenoxy)-propane-1,2-diol, basic care mucus er max, Mucinex D (Salt/Mix), ROBITUSSIN (TN), Adult Tussin Expectorant, Glycerol a-guiacyl ether, Meijer Adult Mucus Plus, MMM guaifenesin solution, Select Brand Tab Tussin, Tussar-2 (Salt/Mix), Brexin EX (Salt/Mix), Tussar SF (Salt/Mix), Up and Up Mucus Relief, GUAIFENESIN [MI], Guaifenesin(Guaiphenesin), a-Glyceryl guaiacol ether, Glycerol a-guaiacyl ether, Mucinex DM (Salt/Mix), Prestwick0_000776, Prestwick1_000776, Prestwick2_000776, Prestwick3_000776, Spectrum2_001104, Spectrum3_000444, Spectrum4_000566, Spectrum5_000758, GUAIFENESIN [INN], GUAIFENESIN [JAN], Lufyllin-GG (Salt/Mix), Naldecon-EX (Salt/Mix), GuaifenesinExtended Release, Select Brand Mucus Relief, (+-)-3-(o-Methoxyphenoxy)-1,2-propanediol, Guaifenesin (Guaiphenesin), GUAIFENESIN [HSDB], GUAIFENESIN [USAN], CHEMBL980, Diabetic Tussin Expectorant, Guaifensin Extended-Release, Mucus and Chest Congestion, Theolair Plus (Salt/Mix), GUAIFENESIN [VANDF], Robitussin CF (Salt/Mix), tussinadult chest congestion, tussinexpectorant for adults, SCHEMBL4321, a-Glyceryl guaiacolate ether, Betr chest congestion relief, careone mucus reliefchildrens, Guaifenesin Extended-Release, Mucus ReliefMaximum Strength, Neothylline-GG (Salt/Mix), Quality Choice Mucus Relief, Gecolate, Glycodex Injection, Select Brand Coughtab 400, Oprea1_193170, Pneumotussin HC (Salt/Mix), WLN: Q1YQ1OR BO1, 1, 3-(o-methoxyphenoxy)-, Bronkaid Caplets (Salt/Mix), BSPBio_000852, BSPBio_002088, COMPRESSO GGF 95 SA, Glycerol a-monoguaiacol ether, GUAIFENESIN [WHO-DD], KBioGR_000972, KBioSS_001315, Mucus ReliefImmediate Release, Slo-Phyllin GG (Salt/Mix), 1,2-Propanediol, 3-(2-methoxyphenoxy)- (+-)-, 4-06-00-05576 (Beilstein Handbook Reference), Adult Tussin Chest Congestion, Maximum Strength Mucus Relief, MLS000028402, Mucus Relief Chest Congestion, Mucus Relief Extended Release, Mucus Relief Extended-Release, 1, 3-(2-methoxyphenoxy)-, DivK1c_000248, SPECTRUM1500321, Glycerol-.alpha.-guajakolether, Meijer Chest Congestion Relief, Shopko Chest Congestion Relief, SPBio_001208, SPBio_002791, PV Tussin Tablet (Salt/Mix), Tedral Expectorant (Salt/Mix), BPBio1_000938, Foster and Thrive Mucus Relief, GTPL7617, wal tussinadult chest congestion, CVS Adult Mucuschest congestion, Guaifenesin (JP18/USP/INN), TopCare Chest Congestion Relief, Berkley and Jensen Mucus Relief, Equaline Chest Congestion Relief, Good Neighbor Pharmacy Tabtussin, GUAIFENESIN [GREEN BOOK], rugby mucus and chest congestion, Tussi-Organidin NR (Salt/Mix), tussinmucus plus chest congestion, Childrens Giltuss EX Expectorant, Childrens MucinexChest Congestion, Good Neighbor Pharmacy Mucus ER, HMS500M10, HY-B0264R, KBio1_000248, KBio2_001315, KBio2_003883, KBio2_006451, KBio3_001308, Scot-tussin Expectorant Sf Cough, Childrens Chest Congestion Relief, Contac Cough Formula (Salt/Mix), GUAIFENESIN [ORANGE BOOK], R05CA03, Refenesen Chest Congestion Relief, Ru-Tuss DE Tablets (Salt/Mix), Glycerol a-(o-methoxyphenyl)ether, GUAIFENESIN 400MG CAPLETS, GUAIFENESIN-ODAAT1200 MG, NINDS_000248, ROBITUSSIN CHEST CONGESTION, Tussin Mucus and Chest Congestion, Childrens Mucinex Chest Congestion, Healthmart Chest Congestion Relief, HMS1570K14, HMS1920B15, HMS2090K20, HMS2091H21, HMS2097K14, HMS2231M20, HMS3369E03, HMS3369N15, HMS3651I17, HMS3714K14, Isoclor Expectorant C (Salt/Mix), Pharmakon1600-01500321, Polaramine Expectorant (Salt/Mix), Robitussin Direct Chest Congestion, TussinGuifenesin Expectrorant Syrup, Rugby Chest Congestion ReliefG450, Curist Mucus ReliefMaximum Strength, Glycerol a-(2-methoxyphenyl) ether, Good Neighbor Pharmacy Mucus Relief, HY-B0264, LCA24875, CVS HEALTH Chest Congestion Relief, Leader Chest Congestion ReliefG450, Tox21_110389, Tox21_302094, BBL009981, Betr remedies chest congestion relief, CCG-39687, Guaifenesin Extended Release 600 mg, Guaifenesin Extended-Release 600 mg, NSC757052, s1740, STK365152, Glycerol, 1-(2-methoxyphenyl) ether, Premier Value Chest Congestion Relief, Tussinadult mucus and chest congestion, AKOS005435152, Childrens Mucus ReliefChest Congestion, Guaifenesin Extended-Release 1200 mg, Preferred Plus Chest Congestion Relief, Robitussin Mucus Plus Chest Congestion, Tox21_110389_1, Tussin Mucus and Chest CongestionAdult, DB00874, FG61559, GUAIFENESIN COMPONENT OF OBREDON, KS-5306, Meijer Adult Mucus Pluschest congestion, NSC-757052, Always Save Chest Congestion ReliefGUAF, Childrens Chest Congestion Relief Grape, Guaiacol glyceryl ether, >=98% (GC), GUAIFENESIN COMPONENT OF FLOWTUSS, IDI1_000248, Mucus Relief Maximum Strength 1200 mg, 3-(2-Methoxyphenoxy)-1, 2-propanediol, GUAIFENESIN COMPONENT OF HYCOFENIX, HYCOFENIX COMPONENT OF GUAIFENESIN, NCGC00094689-01, NCGC00094689-02, NCGC00094689-03, NCGC00094689-04, NCGC00094689-06, NCGC00255343-01, topcare tussinmucus plus chest congestion, AC-26819, CareOne TussinMucus Plus Chest Congestion, DA-73936, DG Health Immediate Release Mucus Relief, Foster and Thrive Chest Congestion Relief, GUAIFENESIN COMPONENT OF MUCINEX D, SMR000058387, SY001753, Akin Expectorant Formula Strawberry Banana, Equaline Tussin Mucus and Chest Congestion, good sense tussinmucus and chest congestion, GUAIFENESIN COMPONENT OF MUCINEX DM, SBI-0051397.P003, The Medicine Shoppe Chest Congestion Relief, AB00052006, Childrens MucinexMini-Melts Chest Congestion, G0159, Guaifenesin Extended-Release Tablets, 600mg, Mucus Relief Extended ReleaseMaximum Strength, NS00007812, SW196538-3, 1,3-Propanetriol, ether with 2-methoxyphenol, Guaifensin Extended-Release Tablets, 1200 mg, (2RS)-3-(2-Methoxyphenoxy)propane-1,2-diol, D00337, D70850, EXPECTORANT GUAIFENESIN EXTENDED-RELEASE, Guaifenesin Directly compressible granules 95%, Ranolazine metabolite CVT-2534 (Guaifenesin), 3-{[2-(methyloxy)phenyl]oxy}propane-1,2-diol, AB00052006-10, AB00052006-11, AB00052006_12, AB00052006_13, A844457, EN300-25998675, MAX Tussin Mucus and Chest Congestion Sugar Free, Q420682, Crcle Guaifenesin Extended-Release Tablets, 600 mg, Crcle Guaifensin Extended Release Tablet, 1200 mg, SR-01000737186-2, SR-01000737186-3, Adult Tussin Mucus and Chest Congestion DM Sugar Free, BRD-A90515964-001-05-8, BRD-A90515964-001-09-0, BRD-A90515964-001-15-7, BRD-A90515964-001-16-5, MUCUS RELIEFGUAIFENESIN EXTENDED-RELEASE 600 mg, Mucinex ChildrensChest Congestion Mini-Melts Bubble Gum, Mucinex Fast-Max Chest Congestion Honey and Berry Flavor, MUCUS RELIEFGUAIFENESIN EXTENDED-RELEASE 1200 mg, Z1255415511, 1,2-PROPANEDIOL, 3-(2-METHOXYPHENOXY)- (+/-)-, 1,2-PROPANEDIOL, 3-(2-METHOXYPHENOXY)-(+/-)-, Guaifenesin, European Pharmacopoeia (EP) Reference Standard, Guaifenesin, United States Pharmacopeia (USP) Reference Standard, Little Remedies Little Colds Mucus Relief Expectorant Melt Aways, Guaifenesin, Pharmaceutical Secondary Standard, Certified Reference Material, Guaifenesin for peak identification, European Pharmacopoeia (EP) Reference Standard, 202-222-5, Guaiacol glyceryl ether, Glycerol guaiacolate, 3-(O-Methoxyphenoxy)-1,2-propanediol, 3-(o-Methoxyphenoxy)-1,2-propanediol, guaiacol gly ceryl ether, robitussin, rac guaifenesin, InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCCCOcccccc6OC))))))))))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Phenol ethers |
| Description | Guaifenesin (INN) or guaiphenesin (former BAN) is an expectorant drug usually taken orally to assist the expectoration ('bringing up') of phlegm from the airways in acute respiratory tract infections. It is a common ingredient in many over-the-counter cough/cold medications. Guaifenesin is also used in the experimental guaifenesin protocol in the treatment of fibromyalgia. It was first approved by the Food and Drug Administration (FDA) in 1952. Guaifenesin works by drawing water into the bronchi. The water both thins mucus and lubricates the airway, facilitating the removal of mucus by coughing. [HMDB] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-methoxyphenoxy)propane-1,2-diol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.4 |
| Superclass | Benzenoids |
| Subclass | Phenol ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HSRJKNPTNIJEKV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 3-(2-Methoxyphenoxy)-1,2-propanediol, 3-(o-Methoxyphenoxy)-1,2-propanediol, 3-(o-Methoxyphenoxy)-propanediol-1,2, 3-o-Methoxyphenoxypropane 1:2-diol, a-Glyceryl guaiacol ether, a-Glyceryl guaiacolate ether, Actifed C, Aeronesin, alpha-Glyceryl guaiacol ether, alpha-Glyceryl guaiacolate ether, Amonidren, Amonidrin, Aresol, Benylin-E, Bronchol, glycerin ether, Glycerin guaiacolate, Glycero-guaiacol ether, Glycerol a-(2-methoxyphenyl) ether, Glycerol a-(o-methoxyphenyl)ether, Glycerol a-guaiacyl ether, Glycerol a-guiacyl ether, Glycerol a-monoguaiacol ether, Glycerol guaiacolate, Glycerol mono(2-methoxyphenyl) ether, Glycerol-a-guajakolether, Glycerol-alpha-guajakolether, Glyceryl guaiacol, Glyceryl guaiacol ether, Glyceryl guaiacolate, Glyceryl guaiacolate ether, Glyceryl guaiacyl ether, Glyceryl guaicolate, Glyceryl guiacolate, Glycerylguaiacol, Guaiacol glycerol ether, Guaiacol glyceryl ether, Guaiacolglicerinetere, Guaiacuran, Guaiacurane, Guaiacyl glyceryl ether, Guaiamar, Guaianesin, Guaicol glycerine ether, Guaicol glyceryl ether, Guaifenesin, Guaifenesine, Guaiphenesin, Guaiphenesine, Guaiphesin, Hustosil, Methoxypropanediol, Methphenoxydiol, Metossipropandiolo, o-Methoxyphenyl glyceryl ether, Organidin NR, Pneumomist, Propanosedyl, Reduton, Robitussin, 3-(O-Methoxyphenoxy)-1,2-propanediol, 3-(O-Methoxyphenoxy)-propanediol-1,2, 3-O-Methoxyphenoxypropane 1:2-diol, Benylin-e, Glycerin ether, Glycerol a-(O-methoxyphenyl)ether, O-Methoxyphenyl glyceryl ether, p-Cresyl acetate, Breonesin, Ether, guaiacol glyceryl, Glyceryl ether, guaiacol, Hytuss, Guaiphenezine, Humibid, Scott-tussin, Guaiacolate, glycerol, Guiatuss, Scott tussin, ScottTussin, guaifenesin |
| Substituent Name | Methoxybenzene, Anisole, Alkyl aryl ether, Secondary alcohol, 1,2-diol, Ether, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aromatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CO, cOC |
| Compound Name | Guaifenesin |
| Kingdom | Organic compounds |
| Exact Mass | 198.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| 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 |
| Smiles | COC1=CC=CC=C1OCC(CO)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Anisoles |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Reference:ISBN:9770972795006