BETAHISTINE HYDROCHLORIDE [USAN:USP]

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Keyword(s): Human Neurotoxin
Molecule Category Salt-form
EPA CompTox DTXSID10204355

Structure

InChI Key XVDFMHARQUBJRE-UHFFFAOYSA-N
Smiles Cl.Cl.CNCCC1=CC=CC=N1
InChI
InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14Cl2N2
Molecular Weight 208.05
AlogP 1.69
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 24.92
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5579-84-0
NORMAN SUSDAT
CONTENTS