4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(diethylamino)phenyl]methyl]-N,N-dimethylaniline
Basic information
- CAS
5427-70-3- Standard SMILES
CCN(CC)c1ccc(Cc2ccc(N(C)C)c(Cl)c2)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
UMQZVYZQZNXPGQ-UHFFFAOYSA-N- Molecular formula
- C42H41ClN2O6
- Average molar mass
- 705.2 g/mol
- Monoisotopic mass
- 704.2653147
Names & identifiers
- Preferred name
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(diethylamino)phenyl]methyl]-N,N-dimethylaniline
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(diethylamino)phenyl]methyl]-N,N-dimethylaniline
Names & synonyms
CHEMBL1703585427-70-3DTXSID90969298NSC-130924,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--2-chloro-4-{[4-(diethylamino)phenyl]methyl}-N,N-dimethylaniline (1/1)
Database identifiers
- CAS
5427-70-3- PubChem CID
- 224536
- DTXSID
DTXSID90969298- ChEMBL
CHEMBL170358
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 877
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Compound notes
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