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Aripiprazole EP Impurity E (Dehydro Aripiprazole)

CAT: 1596-AR-A02523-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02523-01Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129722-25-4
Synonyms
7- (4- (4- (2,3-dichlorophenyl) piperazin-1-yl) butoxy) quinolin-2 (1H) -one; OPC 14857; DM 14857; 7-[4-[4- (2,3-Dichlorophenyl) -1-piperazinyl]butoxy]-2 (1H) -quinolinone; USP Aripiprazole Related Compound G; Aripiprazole EP Impurity E; Aripiprazole USP Related Compound G
Molecular Formula
C23H25Cl2N3O2
Molecular Weight
446.37
API Name
Aripiprazole

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

Related Products

CatalogName
AR-A02544-01Aripiprazole EP Impurity A
AR-A02529-01Aripiprazole EP Impurity G (Aripiprazole Dimer Impurity)
AR-A02551-01Aripiprazole EP Impurity C
AR-A02557-01Aripiprazole EP Impurity B
AR-A02522-01Aripiprazole Impurity E
AR-A02525-01Aripiprazole EP Impurity D
AR-A02519-01Aripiprazole EP Impurity F (Aripiprazole N-Oxide)
AR-A02556-01Dehydro Aripiprazole-d8
AR-A02528-01Aripiprazole Impurity
AR-A02517-01Aripiprazole EP Impurity B HCl (Dichloro piperazine impurity)

Alternative Products

CatalogName
TRC-D229155-25MGDehydro Aripiprazole
CS-O-07238Dehydro Aripiprazole Hydrochloride
TMIJ-0335-01Dehydro aripiprazole-d8
GTR19191248-01Dehydro Aripiprazole (hydrochloride)
HY-113575SDehydro Aripiprazole-d8 (hydrochloride)
TRC-D229152-10MGDehydro Aripiprazole-d8 Hydrochloride
RM-A181624-01Aripiprazole Impurity 24
RM-A181621-01Aripiprazole Impurity 21
RM-A181620-01Aripiprazole Impurity 20
RM-A181619-01Aripiprazole Impurity 19

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