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Aripiprazole N, N Dioxide

CAT: 1459-CS-O-07240Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-07240Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aripiprazole N, N Dioxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Aripiprazole. The product is supplied by Clearsynth under CAT No. CS-O-07240. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
NULL
CAS Number
573691-13-1
Synonyms
Aripiprazole N, N Dioxide
Molecular Formula
C 23 H 27 Cl 2 N 3 O 4
Molecular Weight
480.4
Additionnal Information
Aripiprazole N, N Dioxide is supplied with detailed characterization data compliant with regulatory guideline. Aripiprazole N, N Dioxide can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Aripiprazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
NULL
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Aripiprazole N,N-Dioxide
CAS Number573691-13-1
PubChem CID10217465
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC23H27Cl2N3O4
Molecular Weight480.4
XLogP3.3
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity647
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCC[N+]3(CC[N+](CC3)(C4=C(C(=CC=C4)Cl)Cl)[O-])[O-]
InChI
InChI=1S/C23H27Cl2N3O4/c24-19-4-3-5-21(23(19)25)28(31)13-11-27(30,12-14-28)10-1-2-15-32-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChIKey
QMMBGUILKWQHOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aripiprazole N,N-Dioxide
CAS: 573691-13-1
CID: 10217465
Formula: C23H27Cl2N3O4
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass479.1378617
Monoisotopic Mass479.1378617
Topological Polar Surface Area74.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity647
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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