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Benzylamiloride hydrochloride

CAT: 1568-C07166-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07166-5mgSize:5 mg
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CAS Number
161804-20-2
Synonyms
Benzamil hydrochloride
Target
NCX
Applications
Transmembrane Transporters
Smiles
C1=CC=C (C=C1) CN=C (N) NC (=O) C2=C (N=C (C (=N2) Cl) N) N.Cl
Molecular Formula
C13H14ClN7O.ClH
Additionnal Information
Benzylamiloride hydrochloride (Benzamil hydrochloride) is an inhibitor of Na+/Ca2+ exchanger (NCX) with an IC50 ~100 nM. It reduces hyponatremic brain edema by blocking sodium influx in vivo.

Chemical Information

Benzamil hydrochloride
CAS Number161804-20-2
PubChem CID5702295
IUPAC Name3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide;hydrochloride
Molecular FormulaC13H15Cl2N7O
Molecular Weight356.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity413
SMILES
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N.Cl
InChI
InChI=1S/C13H14ClN7O.ClH/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22);1H
InChIKey
ZNWMRWWNJBXNKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamil hydrochloride
CAS: 161804-20-2
CID: 5702295
Formula: C13H15Cl2N7O
MW: 356.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass355.0715135
Monoisotopic Mass355.0715135
Topological Polar Surface Area145 Ų
Heavy Atom Count23
Formal Charge0
Complexity413
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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