Products for Research Use Only
RegisterLogin

Aripiprazole-d8-1

CAT: 0804-HY-14546S1-01Size: 500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-14546S1-01Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Aripiprazole (1,1,2,2,3,3,4,4-d8) is the deuterium labeled Aripiprazole. Aripiprazole (OPC-14597) is a human 5-HT1A receptor partial agonist with a Ki of 4.2 nM[1][2].
CAS Number
1089115-04-7
Product Name Alternative
OPC-14597-d8-1
UNSPSC
12352005
Hazard Statement
H225-H302+H332-H319
Target
5-HT Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Purity
99.86
Solubility
10 mM in DMSO|DMF : ≥ 30mg/mL|DMSO : ≥ 25mg/mL|Ethanol : ≥ 1mg/mL
Smiles
O=C1NC2=C(C=CC(OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N3CCN(C4=CC=CC(Cl)=C4Cl)CC3)=C2)CC1
Molecular Formula
C23H19D8Cl2N3O2
Molecular Weight
456.43
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P330-P370+P378-P403+P235-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Stip E, Tourjman V. et al. Aripiprazole in schizophrenia and schizoaffective disorder: A review. Clin Ther. 2010;32 Suppl 1:S3-20.|[3]Burris KD, Molski TF, Xu C et al. Aripiprazole, a novel antipsychotic, is a high-affinity partial agonist at human dopamine D2 receptors. J Pharmacol Exp Ther. 2002 Jul;302 (1) :381-9.|[4]Swainston Harrison T, Perry CM. Aripiprazole: a review of its use in schizophrenia and schizoaffective disorder. Drugs. 2004;64 (15) :1715-36.|[5]Nagasaka Y, Oda K, Iwatsubo T, Kawamura A, Usui T. Nagasaka Y, Oda K, Iwatsubo T, Kawamura A, Usui T. Effects of aripiprazole and its active metabolite dehydroaripiprazole on the activities of drug efflux transporters expressed both in the intestine and at the blood-brain barrier. Biopharm Drug Dispos. 2012 Jul 27. doi: 10.1002/bdd.1801.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
Launched
Isoform
5-HT1 Receptor

Chemical Information

7-((4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)(~2~H_8_)butyl)oxy)-3,4-dihydroquinolin-2(1H)-one
CAS Number1089115-04-7
PubChem CID25144831
IUPAC Name7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC23H27Cl2N3O2
Molecular Weight456.4
XLogP4.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity559
SMILES
[2H]C([2H])(C([2H])([2H])C([2H])([2H])OC1=CC2=C(CCC(=O)N2)C=C1)C([2H])([2H])N3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C23H27Cl2N3O2/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/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i1D2,2D2,10D2,15D2
InChIKey
CEUORZQYGODEFX-BQLKVSHCSA-N
Chemical Structure
2D Structure
2D structure of 7-((4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)(~2~H_8_)butyl)oxy)-3,4-dihydroquinolin-2(1H)-one
CAS: 1089115-04-7
CID: 25144831
Formula: C23H27Cl2N3O2
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass455.1982465
Monoisotopic Mass455.1982465
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity559
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

Related Products

CatalogName
HY-14546S-01Aripiprazole-d8
HY-113575SDehydro Aripiprazole-d8 (hydrochloride)
HY-W043675-01Aripiprazole impurity 1
HY-14546-01Aripiprazole
HY-W043675RAripiprazole impurity 1 (Standard)
HY-14546R-01Aripiprazole (Standard)
HY-108751-01Aripiprazole Lauroxil
HY-14546A-01Aripiprazole (monohydrate)
HY-Z2493-01Aripiprazole N1-oxide
HY-143913S-01Aripiprazole metabolite-d6

Alternative Products

CatalogName
TMIJ-0112-01Aripiprazole-d8
MBS3846426-01Aripiprazole (D8)
RM-A181622-01Aripiprazole D8
002853Aripiprazole-d8 (Butyl-d8)
CS-T-93678Aripiprazole-d8 (piperazine-d8)
A22004-1Aripiprazole (D8) 1mg
TRC-D229153-10MGDehydro Aripiprazole-d8
A22004-5Aripiprazole (D8) 5mg
A22004-10Aripiprazole (D8) 10mg
CS-O-13781Dehydro Aripiprazole D8 (piperazine-d8)

Popular Products