Basic information
- Standard SMILES
CC(Cc1ccc(OC2=C(O)C(=O)NC2=O)cc1)NCC(O)c1cc(Cl)c(N)c(Cl)c1.CC(Cc1ccc(OC2=C(O)C(=O)NC2=O)cc1)NCC(O)c1cc(Cl)c(N)c(Cl)c1.O- InChIKey
CEKGUEYIFGYLJU-UHFFFAOYSA-N- Molecular formula
- C42H44Cl4N6O11
- Average molar mass
- 950.6 g/mol
- Monoisotopic mass
- 948.182217
Names & identifiers
- Preferred name
- 4-[4-[2-[(4-amino-3,5-dichloro-beta-hydroxyphenethyl)amino]propyl]phenoxy]-3-hydroxy-1H-pyrrole-2,5-dione hemihydrate
- IUPAC
- bis(3-[4-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]-4-hydroxypyrrole-2,5-dione);hydrate
Names & synonyms
SCHEMBL9515640CEKGUEYIFGYLJU-UHFFFAOYSA-N4-[4-[2-[(4-amino-3,5-dichloro-beta-hydroxyphenethyl)amino]propyl]phenoxy]-3-hydroxy-1H-pyrrole-2,5-dione hemihydrate
Database identifiers
- PubChem CID
- 88474232
Properties
Computed structural properties
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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