Butyl chloride

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Butyl chloride
DrugBank Accession Number
DB11534
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
Thumb
Weight
Average: 92.57
Monoisotopic: 92.039278
Chemical Formula
C4H9Cl
Synonyms
  • n-Butyl chloride
  • n-Propylcarbinyl chloride

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
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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

Adverse Effects
Adverseeffects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Organochlorides
Sub Class
Not Available
Direct Parent
Organochlorides
Alternative Parents
Hydrocarbon derivatives / Alkyl chlorides
Substituents
Aliphatic acyclic compound / Alkyl chloride / Alkyl halide / Hydrocarbon derivative / Organochloride
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZP7R667SGD
CAS number
109-69-3
InChI Key
VFWCMGCRMGJXDK-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
IUPAC Name
1-chlorobutane
SMILES
CCCCCl

References

General References
  1. Strong MJ, Garruto RM: Potentiation in the neurotoxic induction of experimental chronic neurodegenerative disorders: N-butyl benzenesulfonamide and aluminum chloride. Neurotoxicology. 1991 Fall;12(3):415-25. [Article]
  2. Kim SJ, Dwiatmoko AA, Choi JW, Suh YW, Suh DJ, Oh M: Cellulose pretreatment with 1-n-butyl-3-methylimidazolium chloride for solid acid-catalyzed hydrolysis. Bioresour Technol. 2010 Nov;101(21):8273-9. doi: 10.1016/j.biortech.2010.06.047. Epub 2010 Jul 1. [Article]
  3. Malihan LB, Nisola GM, Chung WJ: Brown algae hydrolysis in 1-n-butyl-3-methylimidazolium chloride with mineral acid catalyst system. Bioresour Technol. 2012 Aug;118:545-52. doi: 10.1016/j.biortech.2012.05.091. Epub 2012 May 26. [Article]
  4. Amato JS, Chung JY, Cvetovich RJ, Gong X, McLaughlin M, Reamer RA: Synthesis of 1-tert-butyl-4-chloropiperidine: generation of an N-tert-butyl group by the reaction of a dimethyliminium salt with methylmagnesium chloride. J Org Chem. 2005 Mar 4;70(5):1930-3. [Article]
  5. Kosuge T, Yokota M, Sawanishi H: Photochemical reactions on heterocyclic compounds. I. Nitration of quinoline 1-oxide with nitrosyl chloride and n-butyl nitrite. Chem Pharm Bull (Tokyo). 1965 Dec;13(12):1480-1. [Article]
  6. Li Y, Li Y, Niu X, Jie L, Shang X, Guo J, Li Q: Synthesis and antitumor activity of a new mixed-ligand complex di-n-butyl-(4-chlorobenzohydroxamato)tin(IV) chloride. J Inorg Biochem. 2008 Sep;102(9):1731-5. doi: 10.1016/j.jinorgbio.2008.05.002. Epub 2008 May 13. [Article]
  7. Foerster EH, Mason MF: Preliminary studies on the use of n-butyl chloride as an extractant in a drug screening procedure. J Forensic Sci. 1974 Jan;19(1):155-62. [Article]
  8. Maroz A, Hermann R, Naumov S, Brede O: Ionization of aniline and its N-methyl and N-phenyl substituted derivatives by (free) electron transfer to n-butyl chloride parent radical cations. J Phys Chem A. 2005 Jun 2;109(21):4690-6. [Article]
  9. Shibata MA, Nakanishi K, Shibata M, Masui T, Miyata Y, Ito N: Promoting effect of sodium chloride in 2-stage urinary bladder carcinogenesis in rats initiated by N-butyl-N-(4-hydroxybutyl)nitrosamine. Urol Res. 1986;14(4):201-6. [Article]
  10. WELTER CJ, JOHNSON DR: Effect of combined arecoline hydrobromide and n-butyl chloride complex on parasites of dogs. J Am Vet Med Assoc. 1962 Jan 1;140:62-4. [Article]
ChemSpider
7714
RxNav
19900
ChEMBL
CHEMBL47259
ZINC
ZINC000001586730
Wikipedia
Butyl_chloride

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.751 mg/mLALOGPS
logP2.37ALOGPS
logP2.16ChemAxon
logS-2.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity25.19 m3·mol-1ChemAxon
Polarizability10.39 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - EI-BGC-MSsplash10-0a6u-9000000000-0350104e9b48c471c55a
GC-MS Spectrum - EI-BGC-MSsplash10-0a6u-9000000000-2bbe44ca1f38152734c7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on February 26, 2016 17:37 / Updated on June 12, 2020 16:53