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CHEBI:77556 - SCH51344

ChEBI IDCHEBI:77556
ChEBI NameSCH51344
Stars
DefinitionA pyrazoloquinoline that is 6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4
Last Modified3 March 2014
Submitterpporras
DownloadsMolfile
FormulaC16H20N4O3
Net Charge0
Average Mass316.361
Monoisotopic Mass316.15354
SMILESCOc1ccc2nc3nnc(C)c3c(NCCOCCO)c2c1
InChIInChI=1S/C16H20N4O3/c1-10-14-15(17-5-7-23-8-6-21)12-9-11(22-2)3-4-13(12)18-16(14)20-19-10/h3-4,9,21H,5-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyYWEGXZZAORIRQR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SCH51344 (CHEBI:77556) has role antineoplastic agent (CHEBI:35610)
SCH51344 (CHEBI:77556) is a aromatic amine (CHEBI:33860)
SCH51344 (CHEBI:77556) is a aromatic ether (CHEBI:35618)
SCH51344 (CHEBI:77556) is a primary alcohol (CHEBI:15734)
SCH51344 (CHEBI:77556) is a pyrazoloquinoline (CHEBI:74147)
SCH51344 (CHEBI:77556) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
2-{2-[(6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy}ethanol
Registry NumbersSources
CAS:171927-40-5SUBMITTER
Citations