CHEBI:109638 - 2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
ChEBI ID CHEBI:109638
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H31Cl3N2O4
Net Charge 0
Average Mass 553.906
Monoisotopic Mass 552.13494
InChI InChI=1S/C27H31Cl3N2O4/c28-24-4-2-1-3-21(24)27(22-7-5-19(17-25(22)29)31(9-13-33)10-14-34)23-8-6-20(18-26(23)30)32(11-15-35)12-16-36/h1-8,17-18,27,33-36H,9-16H2
InChIKey VLCFEOVOOOOSGK-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(C2=C(C=C(C=C2)N(CCO)CCO)Cl)C3=C(C=C(C=C3)N(CCO)CCO)Cl)Cl
ChEBI Ontology
Outgoing 2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol (CHEBI:109638) is a benzenoid aromatic compound (CHEBI:33836)
Manual Xref Database
LSM-21066 LINCS
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