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Chemical structure of Cariprazine-d8

GC68831

Cariprazine-d8

Also known as 1,1-dimethyl-3-[4-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea

Cariprazine-d8 is the deuterated form of Cariprazine· Cariprazine is a novel antipsychotic candidate active molecule that binds to D3, D2 and 5-HT1A with Ki values of 0·085 nM, 0·49 nM, and 2·6 nM respectively

ChemicalCAS1308278-50-3MW435.46FormulaC21H24D8Cl2N4O
CAS number
1308278-50-3
Molecular weight
435.46
Formula
C21H24D8Cl2N4O
Solubility
DMSO ： 2 mg/mL (4·59 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KPWSJANDNDDRMB-DHNBGMNGSA-N
Catalogue number
GC68831
Brand
GLPBIO
Computed properties PubChem CID 76286959 · XLogP 4.3 · TPSA 38.8 Ų · H-bond donors 1
XLogP
4.3
TPSA
38.8 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28

SMILES [2H]C1(C(N(C(C(N1CCC2CCC(CC2)NC(=O)N(C)C)([2H])[2H])([2H])[2H])C3=C(C(=CC=C3)Cl)Cl)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 76286959), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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