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Zoniporide (hydrochloride)

CAT: 0607-C3480-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C3480-50Size:50 mg
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Description
sodium-hydrogen exchanger isoform-1 (NHE-1) inhibitor
CAS Number
241800-97-5
Product Name Alternative
N-(aminoiminomethyl)-5-cyclopropyl-1-(5-quinolinyl)-1H-pyrazole-4-carboxamide, monohydrochloride
Sequence
CP 597,396
Field of Research
Membrane Transporter Ion Channel sodium-hydrogen exchanger
Purity
0.98
Form
A crystalline solid
Solubility
≤1mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide
Smiles
O=C(C(C=N1)=C(C2CC2)N1C3=C4C(N=CC=C4)=CC=C3)/N=C(N)/N.Cl
Molecular Formula
C17H16N6O·HCl
Molecular Weight
393.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Zoniporide hydrochloride
CAS Number241800-97-5
PubChem CID11962997
IUPAC Name5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride
Molecular FormulaC17H17ClN6O
Molecular Weight356.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity515
SMILES
C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl
InChI
InChI=1S/C17H16N6O.ClH/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
InChIKey
JTEXNYIOROVPIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zoniporide hydrochloride
CAS: 241800-97-5
CID: 11962997
Formula: C17H17ClN6O
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass356.1152369
Monoisotopic Mass356.1152369
Topological Polar Surface Area112 Ų
Heavy Atom Count25
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

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TRC-Z680000-50MGZoniporide Hydrochloride
HY-105064BZoniporide (hydrochloride)
NJB40685-01Zoniporide hydrochloride hydrate
HY-105064D-01Zoniporide (hydrochloride hydrate)
HY-W704968-012-Oxo-zoniporide (hydrochloride)
TRC-O870465-1MG2-Oxo-Zoniporide Hydrochloride
HY-105064DRZoniporide (hydrochloride hydrate) (Standard)
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