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Chemical structure of N-Desmethyl-PK 11195

GB40294

N-Desmethyl-PK 11195

Also known as N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide

Precursor for [N-methyl-11C]PK 11195 for PET studies· Radioligand precursor of the peripheral benzodiazepine antagonist PK 11195 ·R-enantiomer precursor(R)-(-)-N-Desmethyl-PK 11195 is available as (R)-(-)-N-Desmethyl-PK 11195and the R-enantiomer of PK 11195 is available as (R)-(-)-PK 11195

ChemicalCAS124236-61-9MW338.83FormulaC20H19ClN2O
CAS number
124236-61-9
Molecular weight
338.83
Formula
C20H19ClN2O
InChIKey
XXSIYNJKCPZOFQ-UHFFFAOYSA-N
Catalogue number
GB40294
Brand
GLPBIO
Computed properties PubChem CID 11500992 · XLogP 5.3 · TPSA 42 Ų · H-bond donors 1
XLogP
5.3
TPSA
42 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
24

SMILES CCC(C)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

Computed descriptors from PubChem (CID 11500992), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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