Basic information
- CAS
69895-67-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21- InChIKey
ODQHMLBNJHJVIM-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.12665706
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-
- IUPAC
- 1-hydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
Names & synonyms
69895-67-6NSC299187QZ91JEF9O89,10-Anthracenedione, 1-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-1-Hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedioneNSC-2991871-Hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione9,10-Anthracenedione, 1-hydroxy-4-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-1-hydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione1-hydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dioneNSC 299187UNII-QZ91JEF9O8
Show more names
1-Hydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthra-9,10-quinoneCHEMBL149805SCHEMBL18567079SCHEMBL40050569DTXSID30220173CCG-102464NCI60_002506PD011844
Database identifiers
- CAS
69895-67-6- PubChem CID
- 72747
- DTXSID
DTXSID30220173- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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