Basic information
- CAS
35607-26-2- Standard SMILES
COc1cc(C(=O)N[NH+]=C(N)N)cc(O)c1O.COc1cc(C(=O)N[NH+]=C(N)N)cc(O)c1O.O=S(=O)([O-])[O-]- InChIKey
XIWZYSFFOSNQKG-UHFFFAOYSA-N- Molecular formula
- C18H26N8O12S
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 578.13908947
Names & identifiers
- Preferred name
- N-Carbamimidoyl-3,4-dihydroxy-5-methoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)
- IUPAC
- bis(diaminomethylidene-[(3,4-dihydroxy-5-methoxybenzoyl)amino]azanium);sulfate
Names & synonyms
35607-26-2DTXSID70956984N-Carbamimidoyl-3,4-dihydroxy-5-methoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)RefChem:1091665DTXCID8013849343,4-Dihydroxy-5-methoxybenzoyl aminoguanidine hemisulfate3,4-Dihydroxy-5-methoxybenzoic acid 2-(aminoiminomethyl)hydrazide sulfate (2:1)Benzoic acid, 3,4-dihydroxy-5-methoxy-, 2-(aminoiminomethyl)hydrazide, sulfate (2:1) (salt)
Database identifiers
- CAS
35607-26-2- PubChem CID
- 37191
Properties
Computed structural properties
- Topological polar surface area
- 378 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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