Formaldehyde
Identification
- Name
- Formaldehyde
- Accession Number
- DB03843 (EXPT01444)
- Type
- Small Molecule
- Groups
- Approved, Vet approved
- Description
A highly reactive aldehyde gas formed by oxidation or incomplete combustion of hydrocarbons. In solution, it has a wide range of uses: in the manufacture of resins and textiles, as a disinfectant, and as a laboratory fixative or preservative. Formaldehyde solution (formalin) is considered a hazardous compound, and its vapor toxic. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p717)
- Structure
- Synonyms
- Formaldehído
- Formaldehyd
- Formaldehyde solution
- Formalin
- Formic aldehyde
- Formol
- Methanal
- Methyl aldehyde
- Methylene oxide
- Oxomethane
- Oxomethylene
- Oxymethylene
- Paraform
- External IDs
- NSC-298885
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End British Army Foot Pwr Formaldehyde (.75 mg) + Boric acid (6 mg) + Salicylic acid (3 mg) + Zinc oxide (6 mg) Powder Topical Regal Pharms, Division Of Bradcan Corporation 1980-12-31 2001-07-11 Canada Root Canal Therapy Formaldehyde (19 %) + Cresol (35 %) Liquid Dental Ar Medicom Inc. 1999-11-26 2006-08-03 Canada T.R.U.E. Test Thin-Layer Rapid Use Patch Test Formaldehyde (146 ug/48h) + 2,2'-Dibenzothiazyl disulfide (20 ug/48h) + 2-mercaptobenzothiazole (61 ug/48h) + 4-(Isopropylamino)diphenylamine (10 ug/48h) + Bacitracin (486 ug/48h) + Balsam of Peru (648 ug/48h) + Benzocaine (378 ug/48h) + Benzylparaben (162 ug/48h) + Bisphenol A diglycidyl ether (32 ug/48h) + Bromothalonil (4 ug/48h) + Bronopol (203 ug/48h) + Budesonide (0.8 ug/48h) + Butylparaben (162 ug/48h) + Chlorquinaldol (77 ug/48h) + Cinchocaine hydrochloride (66 ug/48h) + Cinnamaldehyde (41 ug/48h) + Cinnamyl alcohol (63 ug/48h) + Clioquinol (77 ug/48h) + Cobalt chloride hexahydrate (4 ug/48h) + Diazolidinylurea (446 ug/48h) + Potassium dichromate (15.7 ug/48h) + Dipentamethylenethiuram disulfide (5.5 ug/48h) + Diphenylguanidine (68 ug/48h) + Disperse Blue 106 (41 ug/48h) + Disulfiram (5.5 ug/48h) + Ditiocarb Zinc (68 ug/48h) + Ethyl hydroxybenzoate (162 ug/48h) + Ethylenediamine (18 ug/48h) + Eugenol (41 ug/48h) + Evernia prunastri (81 ug/48h) + Geraniol (81 ug/48h) + Hydrocortisone butyrate (16 ug/48h) + Hydroxycitronellal (63 ug/48h) + Imidurea (486 ug/48h) + Isoeugenol (17 ug/48h) + Lanolin alcohols (810 ug/48h) + Methylchloroisothiazolinone (3 ug/48h) + Methylparaben (162 ug/48h) + Morpholinylmercaptobenzothiazole (20 ug/48h) + N,N'-diphenyl-1,4-phenylenediamine (25 ug/48h) + N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine (25 ug/48h) + Neomycin sulfate (486 ug/48h) + Nickel sulfate hexahydrate (36 ug/48h) + P-Tert-Butylphenol-Formaldehyde Resin (Low Molecular Weight) (36 ug/48h) + Parthenolide (2 ug/48h) + Propylparaben (162 ug/48h) + Quaternium-15 (81 ug/48h) + Rosin (972 ug/48h) + Sodium aurotiosulfate (23 ug/48h) + Tetracaine hydrochloride (66 ug/48h) + Tetramethylthiuram monosulfide (5.5 ug/48h) + Thimerosal (6 ug/48h) + Thiohexam (20 ug/48h) + Thiram (5.5 ug/48h) + Tixocortol pivalate (2 ug/48h) + Zinc Dibutyldithiocarbamate (68 ug/48h) + alpha-Amyl cinnamaldehyde (17 ug/48h) + p-Phenylenediamine (65 ug/48h) Kit SmartPractice Denmark ApS 2012-03-01 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Forma-Ray Formaldehyde (.2 mL/59mL) Liquid Topical Gordon Laboratories 2010-07-15 Not applicable US Formadon Formaldehyde (0.1 mL/59mL) Liquid Topical Gordon Laboratories 2010-06-21 Not applicable US Formalaz Formaldehyde (100 mg/1g) Liquid Topical River's Edge Pharmaceuticals, LLC 2006-09-16 2012-10-31 US Formaldehyde Formaldehyde (100 mg/1mL) Solution Topical Rochester Pharmaceuticals 2011-04-27 Not applicable US Formaldehyde Formaldehyde (8.505 g/88.72059mL) Liquid Topical Breckenridge Pharmaceutical, Inc. 2009-01-01 2010-10-31 US - Categories
- UNII
- 1HG84L3525
- CAS number
- 50-00-0
- Weight
- Average: 30.026
Monoisotopic: 30.010564686 - Chemical Formula
- CH2O
- InChI Key
- WSFSSNUMVMOOMR-UHFFFAOYSA-N
- InChI
- InChI=1S/CH2O/c1-2/h1H2
- IUPAC Name
- formaldehyde
- SMILES
- [H]C([H])=O
Pharmacology
- Indication
Use for drying skin before or after surgical removal of warts or where dryness is required.
- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UD-alanyl-D-alanine carboxypeptidase Not Available Streptomyces sp. (strain R61) - 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
Acute oral toxicity (LD50): 42 mg/kg [Mouse].
- Affected organisms
- Not Available
- Pathways
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
References
- Synthesis Reference
Walter Hasselman, Jr., "Process for the preparation of phenol-urea-formaldehyde condensation products." U.S. Patent US4345061, issued August, 1926.
US4345061- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001426
- KEGG Drug
- D00017
- KEGG Compound
- C00067
- PubChem Compound
- 712
- PubChem Substance
- 46505094
- ChemSpider
- 692
- ChEBI
- 16842
- ChEMBL
- CHEMBL1255
- PharmGKB
- PA449703
- IUPHAR
- 4196
- Guide to Pharmacology
- GtP Drug Page
- HET
- FOR
- Drugs.com
- Drugs.com Drug Page
- Wikipedia
- Formaldehyde
- PDB Entries
- 1jlx / 1jly / 1oao / 1pw1 / 1r1l / 1rdg / 1wyk / 2rus / 2wyl / 3etc … show 12 more
- MSDS
- Download (82.2 KB)
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- AIG Technologies Inc.
- Breckenridge Pharmaceuticals
- DSHealthcare Inc.
- Epic Pharma LLC
- Gordon Laboratories
- Harmony Laboratories Inc.
- Moyco Union Broach
- PEDiNOL
- River's Edge Pharmaceuticals
- Dosage forms
Form Route Strength Powder Topical Liquid Topical .2 mL/59mL Liquid Topical 0.1 mL/59mL Liquid Topical 100 mg/1g Liquid Topical 8.505 g/88.72059mL Solution Topical 100 mg/1mL Liquid Dental Kit - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Gas
- Experimental Properties
Property Value Source melting point (°C) -92 °C PhysProp boiling point (°C) -19.1 °C PhysProp water solubility 4E+005 mg/L (at 20 °C) PICKRELL,JA ET AL. (1983) logP 0.35 HANSCH,C ET AL. (1995) pKa 13.3 (at 25 °C) SERJEANT,EP & DEMPSEY,B (1979) - Predicted Properties
Property Value Source Water Solubility 198.0 mg/mL ALOGPS logP -0.68 ALOGPS logP -0.47 ChemAxon logS 0.82 ALOGPS pKa (Strongest Basic) -8.1 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 1 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 17.07 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 6.31 m3·mol-1 ChemAxon Polarizability 2.58 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 + 0.9757 Blood Brain Barrier + 0.982 Caco-2 permeable + 0.7834 P-glycoprotein substrate Non-substrate 0.8663 P-glycoprotein inhibitor I Non-inhibitor 0.9633 P-glycoprotein inhibitor II Non-inhibitor 0.9831 Renal organic cation transporter Non-inhibitor 0.9145 CYP450 2C9 substrate Non-substrate 0.8628 CYP450 2D6 substrate Non-substrate 0.9157 CYP450 3A4 substrate Non-substrate 0.8203 CYP450 1A2 substrate Non-inhibitor 0.8503 CYP450 2C9 inhibitor Non-inhibitor 0.9662 CYP450 2D6 inhibitor Non-inhibitor 0.9735 CYP450 2C19 inhibitor Non-inhibitor 0.9531 CYP450 3A4 inhibitor Non-inhibitor 0.977 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9443 Ames test AMES toxic 0.645 Carcinogenicity Carcinogens 0.6567 Biodegradation Ready biodegradable 0.7562 Rat acute toxicity 2.5082 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9573 hERG inhibition (predictor II) Non-inhibitor 0.9823
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as carbonyl compounds. These are organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbonyl compounds
- Direct Parent
- Carbonyl compounds
- Alternative Parents
- Organic oxides / Hydrocarbon derivatives
- Substituents
- Organic oxide / Hydrocarbon derivative / Carbonyl group / Aliphatic acyclic compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- one-carbon compound, aldehyde (CHEBI:16842) / an <i>n</i>-alkanal (FORMALDEHYDE)
Targets
- Kind
- Protein
- Organism
- Streptomyces sp. (strain R61)
- Pharmacological action
- Unknown
- General Function
- Serine-type d-ala-d-ala carboxypeptidase activity
- Specific Function
- Catalyzes distinct carboxypeptidation and transpeptidation reactions during the last stages of wall peptidoglycan synthesis. Mistaking a beta-lactam antibiotic molecule for a normal substrate (i.e....
- Gene Name
- Not Available
- Uniprot ID
- P15555
- Uniprot Name
- D-alanyl-D-alanine carboxypeptidase
- Molecular Weight
- 42916.725 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Drug created on June 13, 2005 07:24 / Updated on November 04, 2018 19:23