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Chemical structure of GNTI dihydrochloride

GC15843

GNTI dihydrochloride

Also known as 2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]guanidine;dihydrochloride

κ opioid receptor antagonist

ChemicalCAS351183-88-5MW544.48FormulaC27H29N5O3·2HCl
CAS number
351183-88-5
Molecular weight
544.48
Formula
C27H29N5O3·2HCl
Solubility
＜54·45mg/ml in DMSO; ＜54·45mg/ml in Water
InChIKey
VLZVKCDTFJURGK-AWCPWCJTSA-N
Catalogue number
GC15843
Brand
GLPBIO
Computed properties PubChem CID 91826458 · TPSA 133 Ų · H-bond donors 7 · H-bond acceptors 5
TPSA
133 Ų
H-bond donors
7
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
37

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=CC(=C8)N=C(N)N.Cl.Cl

Computed descriptors from PubChem (CID 91826458), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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