Basic information
- CAS
63979-16-8- Standard SMILES
CCN(CC)CCCC(C)Nc1cc(OC)cc2c1NCCC2.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
GTWNJZNRBRCACB-UHFFFAOYSA-N- Molecular formula
- C42H49N3O7
- Average molar mass
- 707.9 g/mol
- Monoisotopic mass
- 707.35705091
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--N~1~,N~1~-diethyl-N~4~-(6-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)pentane-1,4-diamine (1/1)
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-N,1-N-diethyl-4-N-(6-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)pentane-1,4-diamine
Names & synonyms
63979-16-8DTXSID209815244,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--N~1~,N~1~-diethyl-N~4~-(6-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)pentane-1,4-diamine (1/1)RefChem:1069289DTXCID801408794Tetrahydropamaquin naphthoate
Database identifiers
- CAS
63979-16-8- PubChem CID
- 45909
- DTXSID
DTXSID20981524
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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