Basic information
- Standard SMILES
CN(C)CCCN1c2ccccc2CCc2ccccc21.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
SBDXQUVAAJKLDH-UHFFFAOYSA-N- Molecular formula
- C42H40N2O6
- Average molar mass
- 668.8 g/mol
Names & identifiers
- Preferred name
- CID 16052002
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Names & synonyms
SCHEMBL41090SBDXQUVAAJKLDH-UHFFFAOYSA-NPD052191
Database identifiers
- CAS
10075-24-8- PubChem CID
- 16052002
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 859
Related reactions
17 records
Linked notes
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