Basic information
- CAS
92522-90-2- Standard SMILES
NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl- InChIKey
ATRWXXOQLDHYLB-UHFFFAOYSA-N- Molecular formula
- C18H19Cl2N9O6S
- Average molar mass
- 560.4 g/mol
- Monoisotopic mass
- 559.0556059
Overview
combination of above cpds; used in therapy of congestive heart failure
Names & identifiers
- Preferred name
- Frusemide-amiloride mixt.
- IUPAC
- 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
- English name
- frumil
- Molecular formula
- C18H19Cl2N9O6S
- Molecular weight
- 560.37116
Names & synonyms
Fupiram92522-90-2DTXSID40239034Frusemide-amiloride mixt.RefChem:601388DTXCID60161525Frumil4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide4-Chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid--3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide (1/1)Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)-, mixt. with 3,5-diamino-N-(aminoiminomethyl)-6-chloropyrazinecarboxamide
Database identifiers
- CAS
92522-90-2- PubChem CID
- 146367
- DTXSID
DTXSID40239034
Properties
Computed structural properties
- Topological polar surface area
- 290 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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