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Chemical structure of N-Desmethylclozapine-d8 hydrochloride

GC76190

N-Desmethylclozapine-d8 hydrochloride

Also known as 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine;hydrochloride

N-Desmethylclozapine-d8 (hydrochloride) is the deuterium labeled N-Desmethylclozapine hydrochloride

ChemicalCAS2705402-91-9MW357.31FormulaC17H10D8Cl2N4
CAS number
2705402-91-9
Molecular weight
357.31
Formula
C17H10D8Cl2N4
InChIKey
BZUSJYSTHWCMAS-SJEKSWIZSA-N
Catalogue number
GC76190
Brand
GLPBIO
Computed properties PubChem CID 137184935 · TPSA 39.7 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
39.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23

SMILES [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)([2H])[2H])[2H].Cl

Computed descriptors from PubChem (CID 137184935), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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