Butaperazine (dimaleate)

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Description

Butaperazine dimaleate is an antipsychotic compound with activity for the detection of vanadium (V) . Butaperazine dimaleate can react with vanadium (V) in a phosphoric acid medium to form a red radical cation. The absorption spectrum of butaperazine dimaleate reaches a maximum at 513 nm, which conforms to Beer's law and corresponds to a concentration range of 0.25-5.0 μg/ml. Butaperazine dimaleate has a sensitivity value of 6.1 ng/cm2 and is suitable for the analysis of vanadium steel, minerals, biological samples, and soil samples[1].

CAS Number

1063-55-4

UNSPSC

12352005

Target

Endogenous Metabolite

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/butaperazine-dimaleate.html

Smiles

CCCC(C(C=C1N2CCCN3CCN(C)CC3)=CC=C1SC4=C2C=CC=C4)=O.O=C(O)/C=C\C(O)=O.O=C(O)/C=C\C(O)=O

Molecular Formula

C32H39N3O9S

Molecular Weight

641.73

References & Citations

[1]Spectrophotometric determination of vanadium (V) in minerals, steels, soil and biological samples using phenothiazine derivatives

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Butaperazine Maleate

See also: Butaperazine (has active moiety).

CAS Number	1063-55-4
PubChem CID	6433234
IUPAC Name	bis((Z)-but-2-enedioic acid);1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
Molecular Formula	C32H39N3O9S
Molecular Weight	641.7
Topological Polar Surface Area	201
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	45
Formal Charge	0
Complexity	655

SMILES

CCCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C24H31N3OS.2C4H4O4/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26;2*5-3(6)1-2-4(7)8/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

WVYWSPZQGQMPKW-SPIKMXEPSA-N

Chemical Structure

2D Structure

CAS: 1063-55-4

CID: 6433234

Formula: C32H39N3O9S

MW: 641.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	641.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	641.24070100
Monoisotopic Mass	641.24070100
Topological Polar Surface Area	201 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	655
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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591481	Butaperazine
T23843L-01	Butaperazine maleate
443626-01	Butaperazine Dihydrochloride
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B1567-10	Azatadine dimaleate
B6581-50	Zolantidine dimaleate
B6392-10	HTMT dimaleate
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Butaperazine (dimaleate)

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