Basic information
- CAS
5427-73-6- Standard SMILES
CCN(CC)c1ccc(OC)cc1Cc1ccc(N(C)C)c(Cl)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
RDZHUFSEKGXLSE-UHFFFAOYSA-N- Molecular formula
- C43H43ClN2O7
- Average molar mass
- 735.3 g/mol
- Monoisotopic mass
- 734.2758794
Names & identifiers
- Preferred name
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[2-(diethylamino)-5-methoxyphenyl]methyl]-N,N-dimethylaniline
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[2-(diethylamino)-5-methoxyphenyl]methyl]-N,N-dimethylaniline
Names & synonyms
5427-73-6NSC13095DTXSID60279538NSC-130954,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--2-chloro-4-{[2-(diethylamino)-5-methoxyphenyl]methyl}-N,N-dimethylaniline (1/1)
Database identifiers
- CAS
5427-73-6- PubChem CID
- 224541
- DTXSID
DTXSID60279538
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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