PANACAINE HYDROCHLORIDE

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Keyword(s): Human Neurotoxin
Molecule Category Salt-form
EPA CompTox DTXSID80205137

Structure

InChI Key HWDXMCUKRADNLV-UHFFFAOYSA-N
Smiles Cl.C(CN1CCOCC1)CC1=CC=C(COC2=CC=CC=C2)C=C1
InChI
InChI=1S/C20H25NO2.ClH/c1-2-6-20(7-3-1)23-17-19-10-8-18(9-11-19)5-4-12-21-13-15-22-16-14-21;/h1-3,6-11H,4-5,12-17H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26ClNO2
Molecular Weight 347.17
AlogP 3.95
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 21.7
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 56583-43-8
NORMAN SUSDAT
CONTENTS