Basic information
- CAS
83006-72-8- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])c(Nc2ccc(NC(C)C)c3c2C(=O)c2c(O)cccc2C3=O)c1.[Na+]- InChIKey
ZLPBMRAPIWOTLN-UHFFFAOYSA-M- Molecular formula
- C24H21N2NaO6S
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.10180185
Names & identifiers
- Preferred name
- Sodium 3-((9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl)amino)toluene-4-sulphonate
- IUPAC
- sodium 2-[[8-hydroxy-9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]-4-methylbenzenesulfonate
Names & synonyms
EINECS 280-122-083006-72-8Sodium 3-((9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl)amino)toluene-4-sulphonateNS00059505
Database identifiers
- CAS
83006-72-8- PubChem CID
- 23662467
- EC Number
- 280-122-0
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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