CHEBI:183655 - DM-4103

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ChEBI Name DM-4103
ChEBI ID CHEBI:183655
Definition A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H23ClN2O5
Net Charge 0
Average Mass 478.930
Monoisotopic Mass 478.12955
InChI InChI=1S/C26H23ClN2O5/c1-15-5-3-4-6-19(15)25(33)28-18-8-9-20(16(2)13-18)26(34)29-22-10-7-17(27)14-21(22)23(30)11-12-24(31)32/h3-10,13-14H,11-12H2,1-2H3,(H,28,33)(H,29,34)(H,31,32)
InChIKey PRTSBHBGYFDAAS-UHFFFAOYSA-N
SMILES CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)NC1=CC=C(Cl)C=C1C(=O)CCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug metabolite

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ChEBI Ontology
Outgoing DM-4103 (CHEBI:183655) has functional parent tolvaptan (CHEBI:32246)
DM-4103 (CHEBI:183655) has role drug metabolite (CHEBI:49103)
DM-4103 (CHEBI:183655) is a 4-oxo monocarboxylic acid (CHEBI:35950)
DM-4103 (CHEBI:183655) is a benzenedicarboxamide (CHEBI:38800)
IUPAC Name
4-{5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl}-4-oxobutanoic acid
Citation Waiting for Citations Type Source
33078835 PubMed citation Europe PMC
Last Modified
15 November 2021