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Chemical structure of nor-Binaltorphimine dihydrochloride

GC13645

nor-Binaltorphimine dihydrochloride

Also known as (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol;dihydrochloride

nor-Binaltorphimine dihydrochloride is a potent and selective κ opioid receptor (KOR) antagonist

ChemicalCAS113158-34-2MW734.72FormulaC40H43N3O6·2HCl
CAS number
113158-34-2
Molecular weight
734.72
Formula
C40H43N3O6·2HCl
Solubility
＜18·37mg/ml in Water; ＜18·37mg/ml in DMSO
InChIKey
JOJPJLHRMGPDPV-LZQROVCBSA-N
Catalogue number
GC13645
Brand
GLPBIO
Computed properties PubChem CID 11957626 · TPSA 122 Ų · H-bond donors 7 · H-bond acceptors 8
TPSA
122 Ų
H-bond donors
7
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
51

SMILES C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1.Cl.Cl

Computed descriptors from PubChem (CID 11957626), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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