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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:9737 - trimetrexate
Main
ChEBI Ontology
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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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Molfile
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Molfile
Molfile
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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.
View more via ChEBI Ontology
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