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Chemical structure of Brexpiprazole-d8-1

GC71436

Brexpiprazole-d8-1

Also known as 7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]butoxy]-1H-quinolin-2-one

Brexpiprazole-d8-1 is the deuterium labeled Brexpiprazole

ChemicalCAS1427049-19-1MW441.62FormulaC25H19D8N3O2S
CAS number
1427049-19-1
Molecular weight
441.62
Formula
C25H19D8N3O2S
InChIKey
ZKIAIYBUSXZPLP-DHNBGMNGSA-N
Catalogue number
GC71436
Brand
GLPBIO
Computed properties PubChem CID 89428953 · XLogP 4.7 · TPSA 73.1 Ų · H-bond donors 1
XLogP
4.7
TPSA
73.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31

SMILES [2H]C1(C(N(C(C(N1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)([2H])[2H])([2H])[2H])C4=C5C=CSC5=CC=C4)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 89428953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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