BUPIVACAINE HYDROCHLORIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII AKA908P8J1
EPA CompTox DTXSID0030877
Parent Compound: BUPIVACAINE

Structure

InChI Key SIEYLFHKZGLBNX-UHFFFAOYSA-N
Smiles CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H29ClN2O
Molecular Weight 324.9
AlogP 3.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel protein type IV alpha subunit blocker BLOCKER PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94.2-97.15
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 94.2-97.15

Target Conservation

Protein: Sodium channel protein type IV alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314

Cross References

Resources Reference
ChEBI 77441
ChEMBL CHEMBL1200396
FDA SRS AKA908P8J1
PubChem 5282419
SureChEMBL SCHEMBL34374
ZINC ZINC01530814
CONTENTS