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Chemical structure of N-Desmethylclozapine-d8

GC47757

N-Desmethylclozapine-d8

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

An internal standard for the quantification of N-desmethylclozapine

ChemicalCAS1189888-77-4MW320.9FormulaC17H9ClD8N4
CAS number
1189888-77-4
Molecular weight
320.9
Formula
C17H9ClD8N4
Solubility
DMF： 10 mg/ml,DMSO： 10 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 5 mg/ml
InChIKey
JNNOSTQEZICQQP-UFBJYANTSA-N
Catalogue number
GC47757
Brand
GLPBIO
Computed properties PubChem CID 135908332 · XLogP 2.6 · TPSA 39.7 Ų · H-bond donors 2
XLogP
2.6
TPSA
39.7 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22

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]

Computed descriptors from PubChem (CID 135908332), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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