ContaminantDB: Mepivicaine hydrochloride

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 04:14:46 UTC

Update Date

2016-11-09 01:15:34 UTC

Accession Number

CHEM017327

Identification

Common Name

Mepivicaine hydrochloride

Class

Small Molecule

Description

The hydrochloride salt of mepivacaine. It is used as a local anaesthetic.

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(+-)-1-Methyl-2',6'-pipecoloxylidide monohydrochloride	ChEBI
(1-Methyl-DL-piperidine-2-carboxylic acid)-2,6-dimethylanilide hydrochloride	ChEBI
1-Methyl-2',6'-pipecoloxylidide hydrochloride	ChEBI
1-Methyl-2',6'-pipecoloxylidide monohydrochloride	ChEBI
Mepivacaine HCL	ChEBI
Carbocaine	Kegg
Polocaine	Kegg
Scandonest plain	Kegg
(1-Methyl-DL-piperidine-2-carboxylate)-2,6-dimethylanilide hydrochloride	Generator
Abbott brand OF mepivacaine hydrochloride	MeSH
Braun, mepivacaina	MeSH
Clarben brand OF mepivacaine hydrochloride	MeSH
Hexal brand OF mepivacaine hydrochloride	MeSH
Meaverin	MeSH
Mepivacain injektopas	MeSH
Mepivacaina braun	MeSH
Novocol brand OF mepivacaine hydrochloride	MeSH
Sanofi brand OF mepivacaine hydrochloride	MeSH
Scandinibsa	MeSH
Hydrochloride, mepivacaine	MeSH
Inibsa brand OF mepivacaine hydrochloride	MeSH
Isocaine	MeSH
Monohydrochloride, mepivacaine	MeSH
Pascoe brand OF mepivacaine hydrochloride	MeSH
Scandicaine	MeSH
Astra brand OF mepivacaine hydrochloride	MeSH
Dentsply brand OF mepivacaine hydrochloride	MeSH
Mecain	MeSH
Mepihexal	MeSH
Mepivastesin	MeSH
Curasan brand OF mepivacaine hydrochloride	MeSH
3m Brand OF mepivacaine hydrochloride	MeSH
AstraZeneca brand OF mepivacaine hydrochloride	MeSH
Aventis brand OF mepivacaine hydrochloride	MeSH
Braun brand OF mepivicaine hydrochloride	MeSH
Isogaine	MeSH
Mepivacain-injektopas	MeSH
Mepivacaine	MeSH
Mepivacaine monohydrochloride	MeSH
Scandicain	MeSH
Scandonest	MeSH

Chemical Formula

C₁₅H₂₃ClN₂O

Average Molecular Mass

282.809 g/mol

Monoisotopic Mass

282.150 g/mol

CAS Registry Number

1722-62-9

IUPAC Name

N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboximidic acid hydrochloride

Traditional Name

scandonest hydrochloride

SMILES

Cl.CN1CCCCC1C(O)=NC1=C(C)C=CC=C1C

InChI Identifier

InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H

InChI Key

RETIMRUQNCDCQB-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as piperidinecarboxamides. Piperidinecarboxamides are compounds containing a piperidine ring substituted with a carboxamide functional group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Piperidines

Sub Class

Piperidinecarboxylic acids and derivatives

Direct Parent

Piperidinecarboxamides

Alternative Parents

Substituents

2-piperidinecarboxamide
Piperidinecarboxamide
M-xylene
Xylene
Monocyclic benzene moiety
Benzenoid
Tertiary aliphatic amine
Tertiary amine
Carboximidic acid
Carboximidic acid derivative
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Amine
Hydrochloride
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

hydrochloride (CHEBI:6760 )
piperidinecarboxamide (CHEBI:6760 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.23 g/L	ALOGPS
logP	2.44	ALOGPS
logP	3.3	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	5.97	ChemAxon
pKa (Strongest Basic)	6.87	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	35.83 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	77.07 m³·mol⁻¹	ChemAxon
Polarizability	28.87 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-qTof , Positive	splash10-0002-9111100000-d956025414699e71c4b0	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0002-9111100000-d956025414699e71c4b0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0090000000-84ce930b3a92bf1f0b63	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0090000000-84ce930b3a92bf1f0b63	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0090000000-84ce930b3a92bf1f0b63	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0090000000-6893ac2096bf051cbde7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0090000000-6893ac2096bf051cbde7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0090000000-6893ac2096bf051cbde7	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT000478

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Mepivacaine

Chemspider ID

Not Available

ChEBI ID

6760

PubChem Compound ID

66070

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Mepivicaine hydrochloride (CHEM017327)

Structure for CHEM017327: Mepivicaine hydrochloride