Basic information
- CAS
71799-72-9- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1ccc(Nc3ccccc3)cc1[C@]21OC(=O)c2cc(C(=O)O)ccc21- InChIKey
UWFQBZHNZUFLGX-WJOKGBTCSA-N- Molecular formula
- C31H26N2O5
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.18417193
Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-
- IUPAC
- (1R)-2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Names & synonyms
6'-Diethylamino-3-oxo-2'-phenylaminospiro(isobenzofuran-1(3H),9'(9H)xanthene)-5-carboxylic acid71799-72-9Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-
Database identifiers
- CAS
71799-72-9- PubChem CID
- 3085602
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 872
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylic acid, 6'-(diethylamino)-3-oxo-2'-(phenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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