CHEBI:9737 - trimetrexate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trimetrexate
ChEBI ID CHEBI:9737
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:46138
Supplier Information
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Formulae C19H23N5O3
C19H24N5O3
Net Charge +1
Average Mass 370.42576
Monoisotopic Mass 369.18009
InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)/p+1
InChIKey NOYPYLRCIDNJJB-UHFFFAOYSA-O
SMILES CC1=C2C(=CC=C1CNC3=CC(OC)=C(C(=C3)OC)OC)N=C(N=C2N)N
Roles Classification
Biological Role(s): antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Application(s): antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
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ChEBI Ontology
Outgoing trimetrexate (CHEBI:9737) has role antifungal drug (CHEBI:86327)
trimetrexate (CHEBI:9737) is a quinazolines (CHEBI:38530)
Synonyms Sources
2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium PDBeChem
CI-898 DrugCentral
JB-11 DrugCentral
TRIMETREXATE PDBeChem
Trimetrexate KEGG COMPOUND
trimetrexate glucuronate DrugCentral
trimetrexate hydrate DrugCentral
Manual Xrefs Databases
2757 DrugCentral
C11154 KEGG COMPOUND
D06238 KEGG DRUG
TMQ PDBeChem
View more database links
Registry Number Type Source
52128-35-5 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017