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Dehydro aripiprazole-d8

CAT: 0931-TMIJ-0335-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0335-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215897-99-6
Bioactivity
Dehydro aripiprazole-d8 is a deuterated compound of Dehydro aripiprazole. Dehydro aripiprazole has a CAS number of 129722-25-4. Dehydroaripiprazole is the active metabolite of aripiprazole. Aripiprazole is an antipsychotic drug, which is metabolized by CYP3A4 and CYP2D6 and mainly forms dehydroaripiprazole. Dehydroaripiprazole has antipsychotic activity equivalent to aripiprazole.
Smiles
O=C1NC2C(=CC=C(C=2)OCCCCN2C([2H])([2H])C([2H])([2H])N(C3C(Cl)=C(Cl)C=CC=3)C([2H])([2H])C2([2H])[2H])C=C1
Molecular Formula
C23H17D8Cl2N3O2
Molecular Weight
454.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dehydroaripiprazole-d8-1
CAS Number1215897-99-6
PubChem CID46780583
IUPAC Name7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
Molecular FormulaC23H25Cl2N3O2
Molecular Weight454.4
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
[2H]C1(C(N(C(C(N1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)([2H])[2H])([2H])[2H])C4=C(C(=CC=C4)Cl)Cl)([2H])[2H])[2H]
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)/i11D2,12D2,13D2,14D2
InChIKey
CDONPRYEWWPREK-FUEQIQQISA-N
Chemical Structure
2D Structure
2D structure of Dehydroaripiprazole-d8-1
CAS: 1215897-99-6
CID: 46780583
Formula: C23H25Cl2N3O2
MW: 454.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass453.1825964
Monoisotopic Mass453.1825964
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity597
Isotope Atom Count8
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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Alternative Products

CatalogName
TRC-D229153-10MGDehydro Aripiprazole-d8
CS-O-13781Dehydro Aripiprazole D8 (piperazine-d8)
CS-O-16652Dehydro Aripiprazole-d8 (butyl-d8)
HY-113575SDehydro Aripiprazole-d8 (hydrochloride)
TRC-D229152-10MGDehydro Aripiprazole-d8 Hydrochloride
TRC-D229155-25MGDehydro Aripiprazole
CS-O-07238Dehydro Aripiprazole Hydrochloride
GTR19191248-01Dehydro Aripiprazole (hydrochloride)
AR-A02523-01Aripiprazole EP Impurity E (Dehydro Aripiprazole)
TRC-D229307-5MG21-Dehydro Budesonide-d8

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