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Summary
Name:1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
Synonyms:ametantrone
Formula:C22 H28 N4 O4
Formal charge:0
Formula weight:412.482 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
OpenEye OEToolkits1.7.61,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1ccccc1C(=O)c3c2c(ccc3NCCNCCO)NCCNCCO
InChIInChI1.03InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2
InChIKeyInChI1.03FFGSXKJJVBXWCY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12
SMILESCACTVS3.370OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO

219869

PDB entries from 2024-05-15

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