VALBENAZINE TOSYLATE

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Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 5SML1T733B
Parent Compound: VALBENAZINE

Structure
InChI Key BXGKAGLZHGYAMW-TZYFFPFWSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
27.33
General disorders and administration site conditions
18.51
Psychiatric disorders
17.31
Gastrointestinal disorders
6.17
Injury, poisoning and procedural complications
4.5
Musculoskeletal and connective tissue disorders
4.34
Cardiac disorders
3.62
Vascular disorders
3.26
Skin and subcutaneous tissue disorders
2.99
Respiratory, thoracic and mediastinal disorders
2.52

Cross References

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