Basic information
- CAS
70788-93-1- Standard SMILES
CC(O)CNCCNc1ccc(NCCNCC(C)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O- InChIKey
JUYSBXZDJLEGDD-UHFFFAOYSA-N- Molecular formula
- C24H32N4O6
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.23218474
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-5,8-bis[2-(2-hydroxypropylamino)ethylamino]anthracene-9,10-dione
- IUPAC
- 1,4-dihydroxy-5,8-bis[2-(2-hydroxypropylamino)ethylamino]anthracene-9,10-dione
Names & synonyms
70788-93-11,4-Dihydroxy-5,8-bis((2-((2-hydroxypropyl)amino)ethyl)amino)anthracene-9,10-dione1,4-Dihydroxy-5,8-bis({2-[(2-hydroxypropyl)amino]ethyl}amino)anthracene-9,10-dioneNSC3217971,4-dihydroxy-5,8-bis[2-(2-hydroxypropylamino)ethylamino]anthracene-9,10-dioneCHEMBL3302750SCHEMBL10522772DTXSID90330843JUYSBXZDJLEGDD-UHFFFAOYSA-NNSC-3217975,8-dihydroxy-1,4-bis[2-(2-hydroxypropylamino)ethylamino]anthracene-9,10-dioneDS-005622
Show more names
1,4-bis[2-(2- hydroxypropylamino)ethylamino]-5,8-dihydroxyanthraquinone1,4-bis[2-(2-hydroxypropylamino)-ethylamino]-5,8-dihydroxyanthraquinone1,4-bis[2-(2-hydroxypropylamino)ethylamino]-5,8-dihydroxyanthraquinone1,4-dihydroxy-5,8-bis-[2-(2-hydroxypropylamino)ethylamino]anthraquinone1,4-dihydroxy-5,8-bis[2-(2-hydroxypropylamino)ethylamino]-anthraquinone9, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxypropyl)amino]ethyl]amino]-1,4-dihydroxy-5,8- bis[[2-[(2-hydroxypropyl)amino]ethyl]amino]-anthraquinone1,4-dihydroxy-5,8-bis[[2-[(2-hydroxypropyl)amino]ethyl]amino]-anthraquinone
Database identifiers
- CAS
70788-93-1- PubChem CID
- 433060
- DTXSID
DTXSID90330843- ChEMBL
CHEMBL3302750
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 626
Related reactions
22 records
Compound notes
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