5,6-Dimethylxanthenone-4-Acetic Acid
2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
Molecular Identity
5,6-Dimethylxanthenone-4-Acetic Acid
2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
PubChem CID: 123964
Vadimezan is 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. It has a role as an antineoplastic agent. It is a monocarboxylic acid and a member of xanthones.
2D Structure
Properties
C17H14O4
Molecular Formula
282.29
Molecular Weight
g/mol
282.0892
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
433
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)CIsomeric SMILES
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)CSynonyms(20)
Vadimezan117570-53-3DMXAA5,6-Mexaa2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid5,6-Dimethylxanthenone-4-acetic acidAS-1404ASA-404ASA404NSC-6404889H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-5,6-dimethylxanthenoneacetic acidDimethyloxoxanthene acetic acid5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acidvadimezanum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5,6-Dimethylxanthenone-4-Acetic Acid
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