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
Thumb
Synonyms
  • Formaldehyde solution
  • Formalin
  • Formol
  • Methanal
  • Methyl aldehyde
  • Methylene oxide
  • Oxomethane
  • Oxomethylene
  • Oxymethylene
  • Paraform
  • Paraformaldehyde
External IDs
NSC-298885
Unapproved/Other Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Forma-RayLiquid.2 mL/59mLTopicalGordon Laboratories2010-07-15Not applicableUs
FormadonLiquid.1 mL/59mLTopicalGordon Laboratories2010-06-21Not applicableUs
FormaldehydeSolution100 mg/mLTopicalRochester Pharmaceuticals2011-04-27Not applicableUs
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
British Army Foot PwrFormaldehyde (.75 mg) + Boric acid (6 mg) + Salicylic acid (3 mg) + Zinc oxide (6 mg)PowderTopicalRegal Pharms, Division Of Bradcan Corporation1980-12-312001-07-11Canada
CaustinerfFormaldehyde (2.16 mg) + Camphor (1.56 mg) + Lidocaine (4.32 mg) + Parachlorophenol (.96 mg)TabletDentalSeptodont1972-12-312000-08-03Canada
Root Canal TherapyFormaldehyde (19 %) + Cresol (35 %)LiquidDentalAr Medicom Inc.1999-11-262006-08-03Canada
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
C=O

Pharmacology

Indication

Use for drying skin before or after surgical removal of warts or where dryness is required.

Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UD-alanyl-D-alanine carboxypeptidaseNot AvailableStreptomyces 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
PathwayCategory
Lidocaine (Local Anaesthetic) Action PathwayDrug action
Teniposide Action PathwayDrug action
Imipramine Metabolism PathwayDrug metabolism
Nicotine Metabolism PathwayDrug metabolism
Caffeine MetabolismMetabolic
Methadone Action PathwayDrug action
Venlafaxine Metabolism PathwayDrug metabolism
Doxepin Metabolism PathwayDrug metabolism
Mycophenolic Acid Metabolism PathwayDrug metabolism
3-Phosphoglycerate dehydrogenase deficiencyDisease
Codeine Action PathwayDrug action
Imipramine Action PathwayDrug action
Tamoxifen Action PathwayDrug action
Hyperglycinemia, non-ketoticDisease
Levomethadyl Acetate Metabolism PathwayDrug metabolism
Artemether Metabolism PathwayDrug metabolism
Non Ketotic HyperglycinemiaDisease
Citalopram Action PathwayDrug action
Etoposide Action PathwayDrug action
Dimethylglycine Dehydrogenase DeficiencyDisease
Teniposide Metabolism PathwayDrug metabolism
Tamoxifen Metabolism PathwayDrug metabolism
Codeine Metabolism PathwayDrug metabolism
Methadone Metabolism PathwayDrug metabolism
Citalopram Metabolism PathwayDrug metabolism
Clomipramine Metabolism PathwayDrug metabolism
Rosiglitazone Metabolism PathwayDrug metabolism
Glycine and Serine MetabolismMetabolic
Dihydropyrimidine Dehydrogenase Deficiency (DHPD)Disease
Dimethylglycine Dehydrogenase DeficiencyDisease
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

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
HMDB01426
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 9 more
MSDS
Download (82.2 KB)

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Dosage forms
FormRouteStrength
PowderTopical
TabletDental
LiquidTopical.2 mL/59mL
LiquidTopical.1 mL/59mL
SolutionTopical100 mg/mL
LiquidDental
Prices
Not Available
Patents
Not Available

Properties

State
Gas
Experimental Properties
PropertyValueSource
melting point (°C)-92 °CPhysProp
boiling point (°C)-19.1 °CPhysProp
water solubility4E+005 mg/L (at 20 °C)PICKRELL,JA ET AL. (1983)
logP0.35HANSCH,C ET AL. (1995)
pKa13.3 (at 25 °C)SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
PropertyValueSource
Water Solubility198.0 mg/mLALOGPS
logP-0.68ALOGPS
logP-0.47ChemAxon
logS0.82ALOGPS
pKa (Strongest Basic)-6.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.31 m3·mol-1ChemAxon
Polarizability2.58 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9757
Blood Brain Barrier+0.982
Caco-2 permeable+0.7834
P-glycoprotein substrateNon-substrate0.8663
P-glycoprotein inhibitor INon-inhibitor0.9633
P-glycoprotein inhibitor IINon-inhibitor0.9831
Renal organic cation transporterNon-inhibitor0.9145
CYP450 2C9 substrateNon-substrate0.8628
CYP450 2D6 substrateNon-substrate0.9157
CYP450 3A4 substrateNon-substrate0.8203
CYP450 1A2 substrateNon-inhibitor0.8503
CYP450 2C9 inhibitorNon-inhibitor0.9662
CYP450 2D6 inhibitorNon-inhibitor0.9735
CYP450 2C19 inhibitorNon-inhibitor0.9531
CYP450 3A4 inhibitorNon-inhibitor0.977
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9443
Ames testAMES toxic0.645
CarcinogenicityCarcinogens 0.6567
BiodegradationReady biodegradable0.7562
Rat acute toxicity2.5082 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9573
hERG inhibition (predictor II)Non-inhibitor0.9823
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Mass Spectrum (Electron Ionization)MSsplash10-004i-9000000000-58b4df664ee160d1f943
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-793a330f9e6c7661e86d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-793a330f9e6c7661e86d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-793a330f9e6c7661e86d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-5ea4ad4bdb0565b737bb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-5ea4ad4bdb0565b737bb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-5ea4ad4bdb0565b737bb
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable

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
  1. 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]
  2. 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 09, 2017 03:33