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Chemical structure of N-Benzylnaltrindole hydrochloride

GC12663

N-Benzylnaltrindole hydrochloride

Also known as (1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride

δ2 opioid receptor antagonist

ChemicalCAS1206487-81-1MW541.09FormulaC33H32N2O3·HCl
CAS number
1206487-81-1
Molecular weight
541.09
Formula
C33H32N2O3·HCl
Solubility
＜54·11mg/ml in DMSO
InChIKey
KDEBSUYWJUBPCB-ZHYTUUPESA-N
Catalogue number
GC12663
Brand
GLPBIO
Computed properties PubChem CID 90479740 · TPSA 57.9 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
57.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
39

SMILES C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6CC9=CC=CC=C9.Cl

Computed descriptors from PubChem (CID 90479740), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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