DrugBank: Formaldehyde (DB03843)

targets (1)

Identification

Name

Formaldehyde

Accession Number

DB03843 (EXPT01444)

Type

small molecule

Groups

experimental

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

Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure

Synonyms

Methanal
Methyl aldehyde
Methylene oxide
Oxomethane
Oxomethylene
Oxymethylene
Paraform
Paraformaldehyde

Salts

Not Available

Brand names

Name	Company
Formalin
Formol

Brand mixtures

Brand Name	Ingredients
Buckleys Formo Cresol Liquid	Cresol + Formaldehyde
Duoplant Plantar Wart Treatment	Formaldehyde + Lactic Acid + Salicylic Acid
Formo Cresol	Cresol + Formaldehyde

Categories

Disinfectants
Fixatives

CAS number

50-00-0

Weight

Average: 30.026
Monoisotopic: 30.010564686

Chemical Formula

CH₂O

InChI Key

InChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N

InChI

InChI=1S/CH2O/c1-2/h1H2

Plain Text

IUPAC Name

formaldehyde

SMILES

C=O

Plain Text

Mass Spec

Not Available

Taxonomy

Kingdom

Not Available

Classes

Not Available

Substructures

Not Available

Pharmacology

Indication

Not Available

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

Acute oral toxicity (LD50): 42 mg/kg [Mouse].

Affected organisms

Not Available

Pathways

Not Available

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Dosage forms

Form	Route	Strength
Solution	Topical

Prices

Not Available

Patents

Not Available

Properties

State

gas

Experimental Properties

Property	Value	Source
melting point	-92 °C	PhysProp
boiling point	-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	1.98e+02 g/l	ALOGPS
logP	-0.68	ALOGPS
logP	-0.47	ChemAxon
logS	0.82	ALOGPS
pKa (strongest basic)	-6.5	ChemAxon
physiological charge	0	ChemAxon
hydrogen acceptor count	1	ChemAxon
hydrogen donor count	0	ChemAxon
polar surface area	17.07	ChemAxon
rotatable bond count	0	ChemAxon
refractivity	6.31	ChemAxon
polarizability	2.58	ChemAxon

References

Synthesis Reference

Not Available

General Reference

Not Available

External Links

Resource	Link
KEGG Drug	D00017
KEGG Compound	C00067
PubChem Compound	712
PubChem Substance	46505094
ChEBI	16842
ChEMBL	16842
PharmGKB	PA449703
IUPHAR	4196
Guide to Pharmacology	4196
HET	FLH
Drugs.com	http://www.drugs.com/cdi/formaldehyde-solution.html
Wikipedia	http://en.wikipedia.org/wiki/Formaldehyde

ATC Codes

Not Available

AHFS Codes

Not Available

PDB Entries

1PW1

FDA label

Not Available

MSDS

show (82.2 KB)

Interactions

Drug Interactions

Not Available

Food Interactions

Not Available

Targets
1. D-alanyl-D-alanine carboxypeptidase Pharmacological action: unknown 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., a D-alanyl-D-alanine- terminated peptide), it becomes immobilized in the form of a long- lived, serine-ester-linked acyl enzyme and thus behave as penicillin-binding protein (PBP) Organism class: bacterial UniProt ID: P15555 Protein Sequence: FASTA Gene Sequence: FASTA 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 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

Targets

1. D-alanyl-D-alanine carboxypeptidase

Pharmacological action: unknown

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., a D-alanyl-D-alanine- terminated peptide), it becomes immobilized in the form of a long- lived, serine-ester-linked acyl enzyme and thus behave as penicillin-binding protein (PBP)

Organism class: bacterial
UniProt ID: P15555 Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA

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
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

Comments

Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22