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Dehydroaripiprazole

CAT: 0013-GTR19206076-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206076-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dehydroaripiprazole
CAS Number
129722-25-4
Product Name Alternative
OPC14857, OPC-14857, OPC 14857, Metabolite, Inhibitor, inhibit, 5-HT1A, 5-HT1A Receptor, 5-HT Receptor, 5-hydroxytryptamine Receptor, 5HTReceptor, 5HT Receptor, antipsychotic, DM14857, DM-14857, DM 14857, CYP2D6, CYP3A4, Dehydroaripiprazole, Serotonin Receptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.05% (May vary between batches)
Solubility
DMSO:11 mg/mL (24.64 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (2.24 mM)
Smiles
Clc1cccc (N2CCN (CCCCOc3ccc4=CCC (=O) N=c4c3) CC2) c1Cl
Molecular Formula
C23H25Cl2N3O2
Molecular Weight
446.37
Storage Conditions
-20°C
Notes
For research use only.

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

Alternative Products

CatalogName
BA5015-10Dehydroaripiprazole
HY-100665R-01Dehydroaripiprazole (Standard)
HY-113575Dehydroaripiprazole (hydrochloride)
D1959Dehydroaripiprazole, Hydrochloride
HY-100665SDehydroaripiprazole-d8
MBS6110391-01Dehydroaripiprazole-d8, Hydrochloride

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