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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyAcetic acid
Identification
- Name
- Acetic acid
- Accession Number
- DB03166 (EXPT00423, DB04184)
- Type
- Small Molecule
- Groups
- Approved
- Description
Acetic acid is a product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed) Acetic acid otic (for the ear) is an antibiotic that treats infections caused by bacteria or fungus.
- Structure
Structure for DB03166 (Acetic acid)
- Synonyms
- Acetic acid, glacial
- Aceticum acidum
- acide acétique
- Essigsäure
- Ethanoat
- Ethanoate
- Ethanoic acid
- Ethoic acid
- Ethylic acid
- Glacial acetic acid
- HOAc
- Methanecarboxylic acid
- Vinegar
- External IDs
- E-260 / FEMA NO. 2006 / INS NO.260 / INS-260 / NSC-111201 / NSC-112209 / NSC-115870 / NSC-127175 / NSC-132953 / NSC-406306
- Product Ingredients
Ingredient UNII CAS InChI Key Acetyl chloride QD15RNO45K 75-36-5 WETWJCDKMRHUPV-UHFFFAOYSA-N - Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Acetic Acid Solution 20.65 mg/mL Auricular (otic) Hi Tech Pharmacal Co., Inc. 2010-01-22 Not applicable US 
Acetic Acid Solution 20.65 mg/mL Auricular (otic) Rebel Distributors 2010-01-22 Not applicable US Acetic Acid Solution 20.65 mg/mL Auricular (otic) Dispensing Solutions, Inc. 2010-01-22 Not applicable US Acetic Acid Irrigant 250 mg/100mL Irrigation Hospira, Inc. 1980-01-01 Not applicable US Acetic Acid Solution 20.65 mg/mL Auricular (otic) A S Medication Solutions 2010-01-22 Not applicable US Acetic Acid Solution 20.65 mg/mL Auricular (otic) A S Medication Solutions 2010-01-22 2017-06-20 US Acetic Acid Irrigant 0.25 g/100mL Irrigation B. Braun Medical Inc. 1979-08-06 Not applicable US Acetic Acid Irrigant 250 mg/100mL Irrigation Baxter Laboratories 1982-02-19 Not applicable US Acetic Acid Solution 20.65 mg/mL Auricular (otic) Lake Erie Medical Dba Quality Care Produts Llc 2010-01-22 Not applicable US VoSoL Solution 20.65 mg/mL Auricular (otic) ECR Pharmaceuticals Co., Inc. 2010-03-15 2018-01-06 US - Generic Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Acetic Acid Solution .02 mg/mL Auricular (otic) Qualitest 2005-02-24 2017-05-31 US Acetic Acid Solution 20.65 mg/mL Auricular (otic) Rising Pharmaceuticals 2018-03-14 Not applicable US Acetic Acid Solution 25 mg/mL Auricular (otic) A S Medication Solutions 1996-07-26 2017-06-20 US Acetic Acid Solution / drops 2 mg/mL Auricular (otic) Bauch & Lomb Incorporated 1994-02-25 2018-04-10 US Acetic Acid Solution 20 mg/mL Auricular (otic) Morton Grove Pharmaceuticals, Inc. 1996-07-26 Not applicable US Acetic Acid Solution .02 mg/mL Auricular (otic) A S Medication Solutions 2005-02-24 2017-05-31 US Acetic Acid Solution 20 mg/mL Auricular (otic) Unit Dose Services 1996-07-26 Not applicable US Acetic Acid Solution 25 mg/mL Auricular (otic) Nu Care Pharmaceuticals,inc. 1996-07-26 2017-09-29 US Borofair Solution / drops 2 mg/mL Auricular (otic) Major 1994-02-25 Not applicable US - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Acetasol HC Acetic acid (2.41 g/100mL) + Hydrocortisone (1.1 g/100mL) Solution Auricular (otic) Actavis Pharma Company 2002-09-10 Not applicable US Acid Concentrate D12028 Acetic acid (8.85 g) + Calcium Chloride (7.16 g) + Magnesium chloride (0.88 g) + Potassium Chloride (2.75 g) + Sodium Chloride (172 g) Liquid Hemodialysis Althin Biopharm Inc. 1986-12-31 1997-08-13 Canada 
Acid Concentrate D12054 Acetic acid (8.85 g) + Calcium Chloride (6.13 g) + Magnesium chloride (2.63 g) + Potassium Chloride (5.49 g) + Sodium Chloride (172.2 g) Liquid Hemodialysis Althin Biopharm Inc. 1986-12-31 1997-08-13 Canada Acid Concentrate D12092 Acetic acid (5.41 g) + Calcium Chloride (7.49 g) + Magnesium chloride (3.21 g) + Potassium Chloride (5.02 g) + Sodium Chloride (263 g) Solution Hemodialysis Althin Biopharm Inc. 1985-12-31 1998-08-27 Canada Acid Concentrate D12093 Acetic acid (5.41 g) + Calcium Chloride (7.49 g) + Magnesium chloride (3.21 g) + Potassium Chloride (10.1 g) + Sodium Chloride (263 g) Liquid Hemodialysis Baxter Laboratories 1985-12-31 2002-08-01 Canada Acid Concentrate D12095 Acetic acid (5.41 g) + Calcium Chloride (7.49 g) + Magnesium chloride (1.61 g) + Potassium Chloride (3.35 g) + Sodium Chloride (263 g) Liquid Hemodialysis Baxter Laboratories 1986-12-31 2002-08-01 Canada Acid Concentrate D12119 Acetic acid (8.85 g) + Calcium Chloride (6.13 g) + Magnesium chloride (0.88 g) + Potassium Chloride (2.75 g) + Sodium Chloride (172 g) Liquid Hemodialysis Althin Biopharm Inc. 1988-12-31 2001-02-02 Canada Acid Concentrate D12132 Acetic acid (8.85 g) + Calcium Chloride (5.11 g) + Magnesium chloride (2.63 g) + Potassium Chloride (5.49 g) + Sodium Chloride (172.2 g) Liquid Hemodialysis Althin Biopharm Inc. 1988-12-31 1998-08-27 Canada Acid Concentrate D12150 Acetic acid (5.41 g) + Calcium Chloride (4.99 g) + Magnesium chloride (2.14 g) + Potassium Chloride (5.02 g) + Sodium Chloride (263 g) Liquid Hemodialysis Althin Biopharm Inc. 1989-12-31 1999-09-23 Canada Acid Concentrate D12247 Acetic acid (10.8 g) + Calcium Chloride (3.25 g) + Magnesium chloride (2.14 g) + Potassium Chloride (5.02 g) + Sodium Chloride (263 g) Liquid Hemodialysis Althin Biopharm Inc. 1995-12-31 1999-09-23 Canada - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Fem pH Acetic acid (.009 g/g) + Oxyquinoline sulfate (.00025 g/g) Jelly Vaginal Pharmics, Inc. 1999-07-15 Not applicable US Relegard Acetic acid (.9 mg/mL) + Oxyquinoline (.025 mg/mL) Gel Topical Blansett Pharmacal Co 2017-03-20 Not applicable US V-Natal Acetic acid (30 [iU]/1) + Calcium Carbonate (45 mg/1) + Cholecalciferol (450 [iU]/1) + Choline bitartrate (55 mg/1) + Cyanocobalamin (10 ug/1) + Ferrous bisglycinate (32 mg/1) + Folic Acid (1000 ug/1) + Calcium formate (155 mg/1) + Nicotinamide (20 mg/1) + Potassium Iodide (100 ug/1) + Pyridoxine (50 mg/1) + Riboflavin (3 mg/1) + Thiamine mononitrate (3 mg/1) + Sodium ascorbate (120 mg/1) + Zinc oxide (10 mg/1) Tablet, coated Oral Virtus Pharmaceuticals 2012-07-12 2017-09-08 US Virt-Bal DHA Plus Acetic acid (3 mg/1) + Beta carotene (2850 [iU]/1) + Calcium Carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + Ferrous bisglycinate hydrochloride (26.49 mg/1) + Folic Acid (1 mg/1) + Iodine (220 ug/1) + Magnesium oxide (2 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine (50 mg/1) + Riboflavin (4 mg/1) + Thiamine mononitrate (1.8 mg/1) + Sodium ascorbate (120 mg/1) + Zinc oxide (25 mg/1) Kit Virtus Pharmaceuticals 2012-07-12 2017-08-05 US - International/Other Brands
- Acetasol / Orlex / Volsol
- Categories
- UNII
- Q40Q9N063P
- CAS number
- 64-19-7
- Weight
- Average: 60.052
Monoisotopic: 60.021129372 - Chemical Formula
- C2H4O2
- InChI Key
- QTBSBXVTEAMEQO-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
- IUPAC Name
- acetic acid
- SMILES
- CC(O)=O
Pharmacology
- Indication
Used to treat infections in the ear canal.
- Structured Indications
- Pharmacodynamics
- Not Available
- Mechanism of action
- Not Available
- Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half life
- Not Available
- Clearance
- Not Available
- Toxicity
- Not Available
- Affected organisms
- Bacteria
- Pathways
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
References
- Synthesis Reference
Earl M. Chamberlin, Warren K. Russ, Jr., George G. Hazen, "Process for preparing [1-oxo-2-cyclopentyl (or 2-isopropyl)-2-methyl-6,7-dichloro-5-indanyloxy] acetic acid." U.S. Patent US3950408, issued April, 1928.
US3950408- General References
- eMedicine [Link]
- External Links
- Human Metabolome Database
- HMDB0000042
- KEGG Drug
- D00010
- KEGG Compound
- C00033
- PubChem Compound
- 176
- PubChem Substance
- 46506148
- ChemSpider
- 171
- BindingDB
- 50074329
- ChEBI
- 15366
- ChEMBL
- CHEMBL539
- PharmGKB
- PA448021
- IUPHAR
- 1058
- Guide to Pharmacology
- GtP Drug Page
- HET
- ACY
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Acetic_acid
- ATC Codes
- S02AA10 — Acetic acidG01AD02 — Acetic acid
- PDB Entries
- 1a3i / 1a7p / 1aa5 / 1at5 / 1bdw / 1be0 / 1bez / 1bkv / 1c0n / 1cag … show 786 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Diagnostic Gastric Intestinal Metaplasia 1 Not Available Active Not Recruiting Prevention Cervical Cancers 1 Not Available Enrolling by Invitation Basic Science Brain Function / Cerebral Blood Flow / Gut Microbiome / Metabolism 1 Not Available Recruiting Diagnostic Cervical Cancers 1 Not Available Recruiting Diagnostic Esophagus, Barrett 1 Not Available Unknown Status Diagnostic Colon Nos Polypectomy Tubular Adenoma / Colorectal Cancers / Serrated Adenomas 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- B. Braun Melsungen AG
- Bausch & Lomb Inc.
- Baxter International Inc.
- Dispensing Solutions
- Hi Tech Pharmacal Co. Inc.
- Hospira Inc.
- Major Pharmaceuticals
- Qualitest
- Taro Pharmaceuticals USA
- Vintage Pharmaceuticals Inc.
- Wockhardt Ltd.
- Dosage forms
Form Route Strength Irrigant Irrigation 0.25 g/100mL Irrigant Irrigation 250 mg/100mL Solution Auricular (otic) .02 mg/mL Solution Auricular (otic) 20 mg/mL Solution Auricular (otic) 20.65 mg/mL Solution Auricular (otic) 25 mg/mL Liquid Hemodialysis Solution / drops Auricular (otic) 2 mg/mL Jelly Vaginal Solution Auricular (otic) Solution Hemodialysis Gel Topical Tablet, coated Oral Kit - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 16.6 °C PhysProp boiling point (°C) 117.9 °C PhysProp water solubility 1E+006 mg/L (at 25 °C) MERCK INDEX (1996) logP -0.17 HANSCH,C ET AL. (1995) logS 1.22 ADME Research, USCD pKa 4.76 (at 25 °C) SERJEANT,EP & DEMPSEY,B (1979) - Predicted Properties
Property Value Source Water Solubility 323.0 mg/mL ALOGPS logP -0.12 ALOGPS logP -0.22 ChemAxon logS 0.73 ALOGPS pKa (Strongest Acidic) 4.54 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 37.3 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 12.64 m3·mol-1 ChemAxon Polarizability 5.34 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
Property Value Probability Human Intestinal Absorption + 0.9502 Blood Brain Barrier + 0.9742 Caco-2 permeable + 0.5968 P-glycoprotein substrate Non-substrate 0.8714 P-glycoprotein inhibitor I Non-inhibitor 0.99 P-glycoprotein inhibitor II Non-inhibitor 0.992 Renal organic cation transporter Non-inhibitor 0.9466 CYP450 2C9 substrate Non-substrate 0.7913 CYP450 2D6 substrate Non-substrate 0.9384 CYP450 3A4 substrate Non-substrate 0.7921 CYP450 1A2 substrate Non-inhibitor 0.8774 CYP450 2C9 inhibitor Non-inhibitor 0.9482 CYP450 2D6 inhibitor Non-inhibitor 0.9667 CYP450 2C19 inhibitor Non-inhibitor 0.9786 CYP450 3A4 inhibitor Non-inhibitor 0.9854 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9818 Ames test Non AMES toxic 0.9635 Carcinogenicity Carcinogens 0.6222 Biodegradation Ready biodegradable 0.9758 Rat acute toxicity 1.6315 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9666 hERG inhibition (predictor II) Non-inhibitor 0.9889
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Carboxylic acids
- Direct Parent
- Carboxylic acids
- Alternative Parents
- Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Monocarboxylic acid or derivatives / Carboxylic acid / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound / Carbonyl group / Aliphatic acyclic compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- monocarboxylic acid (CHEBI:15366) / Straight chain fatty acids, Saturated fatty acids (C00033) / Straight chain fatty acids (LMFA01010002)
Transporters
- Kind
- Protein
- Organism
- Human
- Pharmacological action
- Unknown
- Actions
- SubstrateInhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Mediates the Na(+)-independent transport of organic anions such as taurocholate, the prostaglandins PGD2, PGE1, PGE2, leukotriene C4, thromboxane B2 and iloprost.
- Gene Name
- SLCO2B1
- Uniprot ID
- O94956
- Uniprot Name
- Solute carrier organic anion transporter family member 2B1
- Molecular Weight
- 76709.98 Da
References
- Kobayashi D, Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I: Involvement of human organic anion transporting polypeptide OATP-B (SLC21A9) in pH-dependent transport across intestinal apical membrane. J Pharmacol Exp Ther. 2003 Aug;306(2):703-8. Epub 2003 Apr 30. [PubMed:12724351]
- Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I: Functional characterization of pH-sensitive organic anion transporting polypeptide OATP-B in human. J Pharmacol Exp Ther. 2004 Feb;308(2):438-45. Epub 2003 Nov 10. [PubMed:14610227]
- Kind
- Protein
- Organism
- Human
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Symporter activity
- Specific Function
- Proton-coupled monocarboxylate transporter. Catalyzes the rapid transport across the plasma membrane of many monocarboxylates such as lactate, pyruvate, branched-chain oxo acids derived from leucin...
- Gene Name
- SLC16A1
- Uniprot ID
- P53985
- Uniprot Name
- Monocarboxylate transporter 1
- Molecular Weight
- 53943.685 Da
References
- Tamai I, Sai Y, Ono A, Kido Y, Yabuuchi H, Takanaga H, Satoh E, Ogihara T, Amano O, Izeki S, Tsuji A: Immunohistochemical and functional characterization of pH-dependent intestinal absorption of weak organic acids by the monocarboxylic acid transporter MCT1. J Pharm Pharmacol. 1999 Oct;51(10):1113-21. [PubMed:10579682]
Drug created on June 13, 2005 07:24 / Updated on March 02, 2018 05:32