1,4-Dihydroxy-5,8-bis((2-(2-hydroxyethoxy)ethyl)amino)-9,10-anthracenedione
Basic information
- CAS
82654-75-9- Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21- InChIKey
PMHSWCVRSMQFMZ-UHFFFAOYSA-N- Molecular formula
- C22H26N2O8
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.16891579
Overview
oxygen analog of mitoxantrone; has no antineoplastic activity; structure given in first source
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-5,8-bis((2-(2-hydroxyethoxy)ethyl)amino)-9,10-anthracenedione
- IUPAC
- 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
- English name
- 1,4-dihydroxy-5,8-bis((2-(2-hydroxyethoxy)ethyl)amino)-9,10-anthracenedione
- Molecular weight
- 0
Names & synonyms
82654-75-91,4-Dbhaq1,4-Dihydroxy-5,8-bis((2-(2-hydroxyethoxy)ethyl)amino)-9,10-anthracenedioneWDC5B8FVN6NSC-339683DTXSID002319389,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-(2-hydroxyethoxy)ethyl)amino)-1,4-dihydroxy-5,8-bis[[2-(2-hydroxyethoxy)ethyl]amino]-9,10-anthracenedioneRefChem:73274DTXCID30154429NSC3396831,4-dihydroxy-5,8-bis[2-(2-hydroxyethoxy)ethylamino]anthracene-9,10-dione
Show more names
1,4-Dihydroxy-5,8-Bis{[2-(2-Hydroxyethoxy)ethyl]amino}anthracene-9,10-DioneNSC 339683UNII-WDC5B8FVN6SCHEMBL3272324SCHEMBL30544825DS-009321Q274539749, 1,4-dihydroxy-5,8-bis[[2-(2-hydroxyethoxy)ethyl]amino]-
Database identifiers
- CAS
82654-75-9- PubChem CID
- 72750
- DTXSID
DTXSID00231938- UNII
- WDC5B8FVN6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- FDA UNII
- 5 B8FVN6 · WDC5B8FVN6
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Related reactions
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Compound notes
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