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

Similar Structures

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
Root Canal Therapy	Formaldehyde (19 %) + Cresol (35 %)	Liquid	Dental	Ar Medicom Inc.	1999-11-26	2006-08-03
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

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
Formadon	Formaldehyde (0.1 mL/59mL)	Liquid	Topical	Gordon Laboratories	2010-06-21	Not applicable
Formalaz	Formaldehyde (100 mg/1g)	Liquid	Topical	River's Edge Pharmaceuticals, LLC	2006-09-16	2012-10-31
Formaldehyde	Formaldehyde (100 mg/1mL)	Solution	Topical	Rochester Pharmaceuticals	2011-04-27	Not applicable
Formaldehyde	Formaldehyde (8.505 g/88.72059mL)	Liquid	Topical	Breckenridge Pharmaceutical, Inc.	2009-01-01	2010-10-31

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)

Unlock Additional Data

Additional Data Available

Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available

Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available

Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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

Pathway	Category
Glycine and Serine Metabolism	Metabolic
Methadone Action Pathway	Drug action
Imipramine Action Pathway	Drug action
Citalopram Action Pathway	Drug action
Codeine Metabolism Pathway	Drug metabolism
Venlafaxine Metabolism Pathway	Drug metabolism
Clomipramine Metabolism Pathway	Drug metabolism
Fluoxetine Metabolism Pathway	Drug metabolism
Mycophenolic Acid Metabolism Pathway	Drug metabolism
Non-Ketotic Hyperglycinemia	Disease
Sarcosinemia	Disease
Fluoxetine Action Pathway	Drug action
Nicotine Action Pathway	Drug action
Teniposide Action Pathway	Drug action
Etoposide Metabolism Pathway	Drug metabolism
Teniposide Metabolism Pathway	Drug metabolism
Tamoxifen Metabolism Pathway	Drug metabolism
Nicotine Metabolism Pathway	Drug metabolism
Tramadol Metabolism Pathway	Drug metabolism
Levomethadyl Acetate Metabolism Pathway	Drug metabolism
Artemether Metabolism Pathway	Drug metabolism
Caffeine Metabolism	Metabolic
Dihydropyrimidine Dehydrogenase Deficiency (DHPD)	Disease
Dimethylglycine Dehydrogenase Deficiency	Disease
Lidocaine (Antiarrhythmic) Action Pathway	Drug action
Lidocaine (Local Anaesthetic) Action Pathway	Drug action
Codeine Action Pathway	Drug action
Etoposide Action Pathway	Drug action
Tamoxifen Action Pathway	Drug action
Dimethylglycine Dehydrogenase Deficiency	Disease

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: HMDB0001426
KEGG Drug: D00017
KEGG Compound: C00067
PubChem Compound: 712
PubChem Substance: 46505094
ChemSpider: 692
ChEBI: 16842
ChEMBL: CHEMBL1255
PharmGKB: PA449703
Guide to Pharmacology: GtP Drug Page
HET: FOR
Wikipedia: Formaldehyde

PDB Entries

1jlx / 1jly / 1oao / 1pw1 / 1r1l / 1rdg / 1wyk / 2rus / 2wyl / 3etc …

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MSDS

Download (82.2 KB)

Clinical Trials

Clinical Trials: Not Available

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

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	Not Available
Mass Spectrum (Electron Ionization)	MS	splash10-004i-9000000000-58b4df664ee160d1f943
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-9000000000-793a330f9e6c7661e86d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-9000000000-793a330f9e6c7661e86d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-9000000000-793a330f9e6c7661e86d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9000000000-5ea4ad4bdb0565b737bb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9000000000-5ea4ad4bdb0565b737bb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9000000000-5ea4ad4bdb0565b737bb
1H NMR Spectrum	1D NMR	Not Applicable
1H NMR Spectrum	1D NMR	Not Applicable
13C NMR Spectrum	1D NMR	Not Applicable
[1H,1H] 2D NMR Spectrum	2D NMR	Not 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

Details1. D-alanyl-D-alanine carboxypeptidase

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 May 01, 2019 09:31

Formaldehyde

Identification

Structure for Formaldehyde (DB03843)

Pharmacology

Interactions

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra

Taxonomy

Targets

References