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Zoniporide hydrochloride hydrate

CAT: 0931-T13413-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13413-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
863406-85-3
Target
Sodium Channel, Others
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
Zoniporide hydrochloride hydrate is a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor. Zoniporide hydrochloride hydrate inhibits human NHE-1 with IC50 of 14 nM.
Smiles
O.Cl.NC(=N)NC(=O)c1cnn(c1C1CC1)-c1cccc2ncccc12
Molecular Formula
C17H19ClN6O2
Molecular Weight
374.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1-(Quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl)guanidine hydrochloride monohydrate
CAS Number863406-85-3
PubChem CID22267662
IUPAC Name5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrate;hydrochloride
Molecular FormulaC17H19ClN6O2
Molecular Weight374.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity515
SMILES
C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.O.Cl
InChI
InChI=1S/C17H16N6O.ClH.H2O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H;1H2
InChIKey
UCIJUEGJEFJRMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-(Quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl)guanidine hydrochloride monohydrate
CAS: 863406-85-3
CID: 22267662
Formula: C17H19ClN6O2
MW: 374.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass374.1258016
Monoisotopic Mass374.1258016
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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