Bioactive Compound Details

BioIDbio200098
NameDIBUCAINE HYDROCHLORIDE
ChEMBL IDCHEMBL1200612
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93
Molecular Weight (Monoisotopic)343.226
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsCINCAINE CHLORIDE|CINCHOCAINE HYDROCHLORIDE|DIBUCAINE HCL|DIBUCAINE HYDROCHLORIDE|HEAVY SOLUTION NUPERCAINE|NSC-756724|NUPERCAINAL|NUPERCAINE
SmilesCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl
InchiInChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
Inchi KeyIVHBBMHQKZBJEU-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets22.0
Bioactivities37.0
Np Likeness Score-1.53
Records Key['SID26747982', 'SID26747981', 'DIBUCAINE HYDROCHLORIDE', 'DIBUCAINE HYDROCHLORIDE', 'SID855998', 'DIBUCAINE HYDROCHLORIDE', 'SID50107328', 'SID56422129', 'DIBUCAINE HYDROCHLORIDE']
Records Name['SID26747982', 'SID26747981', 'DIBUCAINE HYDROCHLORIDE', 'DIBUCAINE HYDROCHLORIDE', 'SID855998', 'DIBUCAINE HYDROCHLORIDE', 'SID50107328', 'SID56422129', 'DIBUCAINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure