Quin 2,tripotassium salt
Basic information
- CAS
100930-10-7- Standard SMILES
COc1cc(N(CC(=O)[O-])CC(=O)[O-])c2nc(COc3ccc(C)cc3N(CC(=O)[O-])CC(=O)O)ccc2c1.[K+].[K+].[K+]- InChIKey
ZZTUEQUZPIXJPY-UHFFFAOYSA-K- Molecular formula
- C26H24K3N3O10
- Average molar mass
- 655.8 g/mol
- Monoisotopic mass
- 655.0372884
Names & identifiers
- Preferred name
- Quin 2,tripotassium salt
- IUPAC
- tripotassium;2-[2-[[8-[bis(carboxylatomethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxymethyl)-5-methylanilino]acetate
Names & synonyms
Quin 2,tripotassium salt100930-10-7DTXSID80143585Tripotassium 2,2'-{[2-({2-[(carboxylatomethyl)(carboxymethyl)amino]-4-methylphenoxy}methyl)-6-methoxyquinolin-8-yl]azanediyl}diacetate
Database identifiers
- CAS
100930-10-7- PubChem CID
- 149156
- DTXSID
DTXSID80143585
Properties
Computed structural properties
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 840
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…