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Chemical structure of Zoniporide hydrochloride hydrate

GC38872

Zoniporide hydrochloride hydrate

Also known as 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrate;hydrochloride

Zoniporide (CP-597396) hydrochloride hydrate is a potent and selective inhibitor of sodium-hydrogen exchanger type 1 (NHE-1)

ChemicalCAS863406-85-3MW374.82FormulaC17H19ClN6O2
CAS number
863406-85-3
Molecular weight
374.82
Formula
C17H19ClN6O2
Solubility
DMSO ： 20 mg/mL (53·36 mM; ultrasonic and warming and heat to 60°C); H2O ： 2 mg/mL (5·34 mM; Need ultrasonic and warming)
InChIKey
UCIJUEGJEFJRMP-UHFFFAOYSA-N
Catalogue number
GC38872
Brand
GLPBIO
Computed properties PubChem CID 22267662 · TPSA 113 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
113 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

SMILES C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.O.Cl

Computed descriptors from PubChem (CID 22267662), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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