Cannabis Compound Database: Showing Compound Card for Carbaryl (CDB006204)

Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Protein target Pathways Concentrations Links References XML

Record Information

Version

1.0

Created at

2020-07-28 20:15:36 UTC

Updated at

2020-11-18 16:40:14 UTC

CannabisDB ID

CDB006204

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Carbaryl

Description

Carbaril, also known as sevin or antigale, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Based on a literature review a significant number of articles have been published on Carbaril.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
1-Naphthalenol, methylcarbamate	ChEBI
1-Naphthalenyl methylcarbamate	ChEBI
1-Naphthol N-methylcarbamate	ChEBI
1-Naphthyl N-methylcarbamate	ChEBI
alpha-Naphthyl N-methylcarbamate	ChEBI
N-Methyl-1-naphthyl carbamate	ChEBI
N-Methyl-alpha-naphthylurethan	ChEBI
Sevin	ChEBI
Flea and tick powder	Kegg
1-Naphthalenol, methylcarbamic acid	Generator
1-Naphthalenyl methylcarbamic acid	Generator
1-Naphthol N-methylcarbamic acid	Generator
1-Naphthyl N-methylcarbamic acid	Generator
a-Naphthyl N-methylcarbamate	Generator
a-Naphthyl N-methylcarbamic acid	Generator
alpha-Naphthyl N-methylcarbamic acid	Generator
Α-naphthyl N-methylcarbamate	Generator
Α-naphthyl N-methylcarbamic acid	Generator
N-Methyl-1-naphthyl carbamic acid	Generator
N-Methyl-a-naphthylurethan	Generator
N-Methyl-α-naphthylurethan	Generator
1-Naphthyl-N-methylcarbamate	MeSH
Antigale	MeSH
Carbaryl, manganese (2+) salt	MeSH
Carbaryl, nickel (2+) salt	MeSH
Carbyl	MeSH
Carylderm	MeSH
Concentrat vo 18	MeSH
Dog net insecticide poudre	MeSH
Dog-net insecticide poudre	MeSH
DogNet insecticide poudre	MeSH
Fido's free itch	MeSH
Fido's free-itch	MeSH
Fido's freeitch	MeSH
g Wizz	MeSH
g-Wizz	MeSH
GWizz	MeSH
Joseph lyddy	MeSH
Lyddy, joseph	MeSH
Moureau, poudre insecticide	MeSH
Océcoxil	MeSH
Poudre insecticide moureau	MeSH
Poudre insecticide vetoquinol	MeSH
Poutic	MeSH
Skatta tick flea louse powder	MeSH
Sépou	MeSH
Tigal	MeSH
VO 18, concentrat	MeSH
Vetoquinol, poudre insecticide	MeSH
Insecticide moureau, poudre	MeSH
Insecticide vetoquinol, poudre	MeSH
Biové brand OF carbaril	MeSH
Carbaril avicopharma brand	MeSH
Carbaril novartis brand	MeSH
Carbaril ornis brand	MeSH
Novartis brand OF carbaril	MeSH
Carbaril biové brand	MeSH
Carbaril mavlab brand	MeSH
Clément brand OF carbaril	MeSH
intraveno Brand OF carbaril	MeSH
Carbaril clément brand	MeSH
Carbaril intraveno brand	MeSH
Coophavet brand OF carbaril	MeSH
Mavlab brand OF carbaril	MeSH
Sanofi brand OF carbaril	MeSH
18, Concentrat vo	MeSH
Avicopharma brand OF carbaril	MeSH
Carbaril coophavet brand	MeSH
Carbaril sanofi brand	MeSH
Carbaril sogeval brand	MeSH
Carbaril virbac brand	MeSH
Carbaril vétoquinol brand	MeSH
David veterinary laboratories brand OF carbaril	MeSH
Ornis brand OF carbaril	MeSH
Sogeval brand OF carbaril	MeSH
Virbac brand OF carbaril	MeSH
Vétoquinol brand OF carbaril	MeSH

Chemical Formula

C₁₂H₁₁NO₂

Average Molecular Weight

201.2212

Monoisotopic Molecular Weight

201.078978601

IUPAC Name

naphthalen-1-yl N-methylcarbamate

Traditional Name

carbaryl

CAS Registry Number

63-25-2

SMILES

CNC(=O)OC1=C2C=CC=CC2=CC=C1

InChI Identifier

InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

InChI Key

CVXBEEMKQHEXEN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Not Available

Direct Parent

Naphthalenes

Alternative Parents

Substituents

Naphthalene
Carbamic acid ester
Carbonic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

carbamate ester (CHEBI:3390 )
naphthalenes (CHEBI:3390 )
Carbamate pesticides (C07491 )
Carbamate insecticides (C07491 )

Ontology

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	145°C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.11 mg/mL at 22°C [USDA PESTICIDE PROPERTIES DATABASE]	Not Available
logP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.45	ALOGPS
logP	2.46	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	14.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	38.33 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	57.21 m³·mol⁻¹	ChemAxon
Polarizability	21.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
EI-MS	Mass Spectrum (Electron Ionization)	splash10-00kf-2900000000-cd5941ba48c8a1e6e58a	2014-09-20	View Spectrum
Predicted GC-MS	Carbaryl, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Carbaryl, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 6V, positive	splash10-0002-0900000000-0f6a259cda73758bb362	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 12V, positive	splash10-0002-0900000000-b7f930f384eab31c5b9a	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 18V, positive	splash10-0002-0900000000-0f05f552fc9cc27f32ad	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 24V, positive	splash10-0002-0900000000-b107b32762298249759b	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 30V, positive	splash10-00kb-0900000000-5fa7e3e6fbbd0b4984f6	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 36V, positive	splash10-05mk-0900000000-f25c92793e24b051a1c1	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 14V, positive	splash10-0002-0900000000-0671e7172ce57703d527	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - NA , positive	splash10-05mk-0900000000-7edce946262fe2bbecc2	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 10V, positive	splash10-0002-0900000000-3982cb63a5ee819d7580	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 20V, positive	splash10-0002-0900000000-3b49e20fec83d7fce4a0	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 30V, positive	splash10-0002-0900000000-30cc1a92ae5ef5734a1d	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 50V, positive	splash10-00or-0900000000-4a62835f5b7d233aebb2	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 22V, positive	splash10-0udi-3390000000-93f9121f559ab52664f9	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 6V, negative	splash10-0udl-0890000000-057fbd9004178f688ba2	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 12V, negative	splash10-0f6x-0950000000-4439b966eb226b8c6575	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 18V, negative	splash10-0006-0900000000-2b41920cc7029e3aa1c7	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 24V, negative	splash10-0006-0900000000-b84003c63d2ec3cd314f	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 30V, negative	splash10-0006-0900000000-1ca23b61d200065465cf	2020-08-04	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT 36V, negative	splash10-0006-0900000000-ba100010a53e32483a55	2020-08-04	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0f6t-4970000000-f34a6a4b130cb9b4d1b0	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-3910000000-7ef7bd590aab9c8b1fa7	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0kbb-9700000000-edce70d41273d856d2e7	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0pb9-9450000000-47f0242f016e80a36b6b	2016-08-04	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4l-7920000000-1b72ab1698a1572b484d	2016-08-04	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-4900000000-dfb9ade22f39eb2f59de	2016-08-04	View Spectrum

NMR

Type	Description		View
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, experimental)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.40 MHz, CDCl₃, experimental)		Spectrum

Pathways

Not Available

Protein Targets

Enzymes

Not Available

Transporters

Not Available

Metal Bindings

Not Available

Receptors

Not Available

Transcriptional Factors

Not Available

Concentrations Data

Not Available

External Links

HMDB ID

HMDB0249612

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00018552

Chemspider ID

5899

KEGG Compound ID

C07491

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Carbaryl

METLIN ID

Not Available

PubChem Compound

6129

PDB ID

Not Available

ChEBI ID

3390

References

General References

Taylor A, Birkett JW: Pesticides in cannabis: A review of analytical and toxicological considerations. Drug Test Anal. 2020 Feb;12(2):180-190. doi: 10.1002/dta.2747. Epub 2020 Jan 19. [PubMed:31834671 ]

Showing Compound Card for Carbaryl (CDB006204)

Structure for CDB006204 (Carbaryl)