3,5-diamino-N-[amino(benzylamino)methylidene]-6-chloropyrazine-2-carboxamide hydrochloride

• ChemBase ID: 105328
• Molecular Formular: C13H15Cl2N7O
• Molecular Mass: 356.2105
• Monoisotopic Mass: 355.0715135
• SMILES: Cl.N/C(=N\C(=O)c1c(N)nc(N)c(Cl)n1)/NCc1ccccc1
• Canonical SMILES: N/C(=N\C(=O)c1nc(Cl)c(nc1N)N)/NCc1ccccc1.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

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diamino-N-[amino(benzylamino)methylidene]-6-chloropyrazine-2-carboxamide hydrochloride
• IUPAC Traditional name: 3,5-diamino-N-[amino(benzylamino)methylidene]-6-chloropyrazine-2-carboxamide hydrochloride
• Synonyms: Benzylamiloride hydrochloride; BENZAMIL HYDROCHLORIDE

Database IDs

• CAS Number: 2898-76-2
• PubChem SID: 162092322
• PubChem CID: 5702295

CALCULATED PROPERTIES

• Acid pKa: 16.458336
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): 1.1094582
• LogD (pH = 7.4): 1.1116849
• Log P: 1.1117134
• Molar Refractivity: 86.0756 cm^3
• Polarizability: 31.008532 Å^3
• Polar Surface Area: 145.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C, Protect from light

DETAILS

MP Biomedicals - 02159795

Hydrochloride
Potent Na^+ -channel blocker.