Basic information
- CAS
70788-50-0- Standard SMILES
CC(=O)Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1.OCCN(CCO)CCO- InChIKey
HZPWACMIUKGKQY-UHFFFAOYSA-N- Molecular formula
- C28H32N4O9S
- Average molar mass
- 600.6 g/mol
- Monoisotopic mass
- 600.18899978
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
- IUPAC
- 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Names & synonyms
70788-50-04-((4-(Acetylamino)phenyl)amino)-1-amino-2-anthraquinonesulfonic acid, triethanolamine saltDTXSID30721652-Anthraquinonesulfonic acid, 4-((4-(acetylamino)phenyl)amino)-1-amino-, compound with 2,2',2''-nitrilotris(ethanol) (1:1)RefChem:85490DTXCID50468094-(4-Acetamidoanilino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
70788-50-0- PubChem CID
- 44153148
- DTXSID
DTXSID3072165
Properties
Computed structural properties
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 919
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…