N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride
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Basic information
- CAS
92564-34-6- Standard SMILES
Cl.NC(N)=NCCNS(=O)(=O)c1cccc2cnccc12- InChIKey
GUGJQAFPKZZOIV-UHFFFAOYSA-N- Molecular formula
- C12H16ClN5O2S
- Average molar mass
- 329.81 g/mol
- Monoisotopic mass
- 329.0713236
Names & identifiers
- Preferred name
- N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochloride
- IUPAC
- 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine;hydrochloride
- English name
- HA-1004 DIHYDROCHLORIDE
- Molecular formula
- C12H15N5O2S.ClH
- Molecular weight
- 329.81
Names & synonyms
92564-34-6N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide hydrochlorideHA-1004 DIHYDROCHLORIDEHA-1004 HCl2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine;hydrochlorideHA-1004 (hydrochloride)orb1298718orb1940922SCHEMBL1165287HA 1004 2HClHA-1004 2HClCHEMBL1204354
Show more names
HA 1004HA1004 HCLHA-1004 HYDROCHLORIDEHA-1004 monohydrochlorideN-(2-Guanidinoethyl)-5-Isoquinolinesulfonamide,HClN-2-(GUANIDINOETHYL)-5-ISOQUINOLINESULFONAMIDE 2HCLN-(2'-GUANIDINOETHYL)-5-ISOQUINOLINESULFONAMIDE 2HCL
SCHEMBL30084456SCHEMBL30237218DTXSID00919108GUGJQAFPKZZOIV-UHFFFAOYSA-NMFCD00069285AKOS040759489DB-265684HY-112348
Database identifiers
- CAS
92564-34-6- PubChem CID
- 6917872
- DTXSID
DTXSID00919108- ChEMBL
CHEMBL1204354
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Melting point
- 235 · 235-236°C
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 10 mM
- form
- powder
- color
- white
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesA novel calcium antagonist and vasodilator with no effect on cardiac function.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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