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2898-76-2 molecular structure
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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 and InChIs

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

Cite this record

CBID:105328 http://www.chembase.cn/molecule-105328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
2898-76-2
PubChem SID
162092322
PubChem CID
5702295

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02159795 external link Add to cart Please log in.
Data Source Data ID
PubChem 5702295 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.458336  H Acceptors
H Donor LogD (pH = 5.5) 1.1094582 
LogD (pH = 7.4) 1.1116849  Log P 1.1117134 
Molar Refractivity 86.0756 cm3 Polarizability 31.008532 Å3
Polar Surface Area 145.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
2-8°C, Protect from light expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02159795 external link
Hydrochloride
Potent Na+ -channel blocker.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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