CHEBI:75934 - vadimezan

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ChEBI Name vadimezan
ChEBI ID CHEBI:75934
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
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Formula C17H14O4
Net Charge 0
Average Mass 282.29070
Monoisotopic Mass 282.089
InChI InChI=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)
InChIKey XGOYIMQSIKSOBS-UHFFFAOYSA-N
SMILES Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
vadimezan ChemIDplus
vadimézan WHO MedNet
vadimezan WHO MedNet
vadimezanum WHO MedNet
Synonyms Sources
(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid ChEBI
5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid ChemIDplus
5,6-Dimethylxanthenone-4-acetic acid ChemIDplus
5,6-Dimethylxanthenoneacetic acid ChemIDplus
5,6-MeXAA ChemIDplus
AS 1404 ChemIDplus
AS-1404 ChemIDplus
Dimethyloxoxanthene acetic acid ChemIDplus
NSC 640488 ChemIDplus
Manual Xrefs Databases
1YE PDBeChem
NZ576925 Patent
Vadimezan Wikipedia
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Registry Numbers Types Sources
117570-53-3 CAS Registry Number ChemIDplus
4262852 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
06 November 2013