loading...| Preferred Name |
trimetrexate |
|
| Synonyms |
Trimetrexate TRIMETREXATE 2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium trimetrexate glucuronate trimetrexate hydrate CI-898 JB-11 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9737 |
|
| charge |
+1 |
|
| database_cross_reference |
KEGG:C11154 Drug_Central:2757 KEGG:D06238 CAS:52128-35-5 PDBeChem:TMQ |
|
| formula |
C19H23N5O3 C19H24N5O3 |
|
| has role | ||
| has_alternative_id |
CHEBI:46138 |
|
| has_exact_synonym |
Trimetrexate TRIMETREXATE |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium trimetrexate glucuronate trimetrexate hydrate CI-898 JB-11 |
|
| has_RxCUI |
42333 |
|
| id |
CHEBI:9737 |
|
| in_subset | ||
| 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 |
|
| label |
Trimetrexate trimetrexate |
|
| mass |
370.42576 |
|
| monoisotopicmass |
369.18009 |
|
| notation |
CHEBI:9737 |
|
| prefixIRI |
CHEBI:9737 |
|
| prefLabel |
trimetrexate |
|
| smiles |
CC1=C2C(=CC=C1CNC3=CC(OC)=C(C(=C3)OC)OC)N=C(N=C2N)N |
|
| subClassOf |