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Dehydroaripiprazole (Standard)

CAT: 0804-HY-100665R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100665R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dehydroaripiprazole (Standard) is the analytical standard of Dehydroaripiprazole. This product is intended for research and analytical applications. Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole and dopamine D2/D3 receptor partial agonist. Dehydroaripiprazole also has certain affinity for serotonin 5-HT1A, 5-HT2A and 5-HT2B receptors. Dehydroaripiprazole has antipsychotic activity equivalent to Aripiprazole[1][2][3][4][5][6][7][8].
CAS Number
129722-25-4
Product Name Alternative
OPC-14857 (Standard) ; DM-14857 (Standard)
UNSPSC
12352005
Target
5-HT Receptor; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/dehydroaripiprazole-standard.html
Smiles
O=C1NC2=C(C=CC(OCCCCN3CCN(C4=CC=CC(Cl)=C4Cl)CC3)=C2)C=C1
Molecular Formula
C23H25Cl2N3O2
Molecular Weight
446.37
References & Citations
[1]Kirschbaum KM, et al. Serum levels of aripiprazole and dehydroaripiprazole, clinical response and side effects. World J Biol Psychiatry. 2008;9 (3) :212-8.|[2]Lin SK, et al. Aripiprazole and dehydroaripiprazole plasma concentrations and clinical responses in patients with schizophrenia. J Clin Psychopharmacol. 2011 Dec;31 (6) :758-62.|[3]Hui-ChingHuang, et al. Detection and quantification of aripiprazole and its metabolite, dehydroaripiprazole, by gas chromatography–mass spectrometry in blood samples of psychiatric patients. Journal of Chromatography B. Volume 856, Issues 1-2, 1 September 2007, Pages 57-61.|[4]Stip E, Tourjman V. et al. Aripiprazole in schizophrenia and schizoaffective disorder: A review. Clin Ther. 2010;32 Suppl 1:S3-20.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor;5-HT2 Receptor

Chemical Information

Dehydroaripiprazole

metabolite of aripiprazole; structure in first source

CAS Number129722-25-4
PubChem CID10114519
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.4
XLogP4.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity597
SMILES
C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)
InChIKey
CDONPRYEWWPREK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dehydroaripiprazole
CAS: 129722-25-4
CID: 10114519
Formula: C23H25Cl2N3O2
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass445.1323824
Monoisotopic Mass445.1323824
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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