VALBENAZINE TOSYLATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5SML1T733B
Parent Compound: VALBENAZINE

Structure

InChI Key BXGKAGLZHGYAMW-TZYFFPFWSA-N
Smiles COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1
InChI
InChI=1S/C24H38N2O4.2C7H8O3S/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4;2*1-6-2-4-7(5-3-6)11(8,9)10/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/t17-,19-,20-,23+;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H54N2O10S2
Molecular Weight 762.99
AlogP 3.56
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 74.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Synaptic vesicular amine transporter inhibitor INHIBITOR FDA

Target Conservation

Protein: Synaptic vesicular amine transporter
Description: Synaptic vesicular amine transporter
Organism : Homo sapiens
Q05940 ENSG00000165646

Cross References

Resources Reference
ChEMBL CHEMBL3707248
FDA SRS 5SML1T733B
PubChem 92042922
SureChEMBL SCHEMBL18863051
CONTENTS