Bupivacaine hydrochloride

C18H29ClN2OCAS 14252-80-3324.89 g/mol

Open in Covalent MOL file
NONHHCl
Tertiary amine

Properties

Molecular formula
C18H29ClN2O
Molar mass
324.89 g/mol
Exact mass
324.1968 Da
Melting point
255–256 °C
logP
4.97Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
14252-80-3
SMILES
CCCCN1CCCCC1C(O)=Nc1c(C)cccc1C.Cl
InChIKey
SIEYLFHKZGLBNX-UHFFFAOYSA-N
InChI
InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1)
  • 2′,6′-Pipecoloxylidide, 1-butyl-, monohydrochloride
  • 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride
  • 2′,6′-Pipecoloxylidide, 1-butyl-, hydrochloride
  • LAC 43
  • Marcaine hydrochloride
  • (±)-Bupivacaine hydrochloride
  • Marcaina
  • AH 2250
  • Sensorcaine
  • Bicain
  • NovaBupi

Work with Bupivacaine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bupivacaine2180-92-9Free base (-)-Bupivacaine27262-47-1Free base, defined stereoisomer (-)-Bupivacaine monohydrochloride27262-48-2Defined stereoisomer Bupivacaine hydrochloride18010-40-7

Similar compounds

Ropivacaine hydrochloride98717-15-891 % similar Ropivacaine hydrochloride monohydrate132112-35-785 % similar Ropivacaine84057-95-484 % similar (+)-Ropivacaine98717-16-984 % similar Mepivacaine hydrochloride1722-62-969 % similar Mepivacaine22801-44-163 % similar 2′,6′-Pipecoloxylidide15883-20-247 % similar (2S)-N-(2,6-Dimethylphenyl)-2-piperidinecarboxamide27262-40-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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