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CHEBI:75934 - vadimezan

ChEBI IDCHEBI:75934
ChEBI Namevadimezan
Stars
DefinitionA monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.
Last Modified6 November 2013
SubmitterSandra Orchard
DownloadsMolfile
FormulaC17H14O4
Net Charge0
Average Mass282.295
Monoisotopic Mass282.08921
SMILESCc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C
InChIInChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyXGOYIMQSIKSOBS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vadimezan (CHEBI:75934) has role antineoplastic agent (CHEBI:35610)
vadimezan (CHEBI:75934) is a monocarboxylic acid (CHEBI:25384)
vadimezan (CHEBI:75934) is a xanthones (CHEBI:51149)
IUPAC Name 
(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid
INNs  Source
vadimezanChemIDplus
vadimezanWHO MedNet
vadimezanumWHO MedNet
vadimézanWHO MedNet
Synonyms  Source
(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acidChEBI
Dimethyloxoxanthene acetic acidChemIDplus
5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acidChemIDplus
NSC 640488ChemIDplus
AS 1404ChemIDplus
AS-1404ChemIDplus
Manual XrefsDatabases
1YEPDBeChem
VadimezanWikipedia
NZ576925Patent
Registry NumbersSources
Reaxys:4262852Reaxys
CAS:117570-53-3ChemIDplus
Citations