loading...| Preferred Name | methotrexate | |
| Synonyms |
methotrexate 4-amino-N(10)-methylpteroylglutamic acid methotrexatum metotrexato N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid 4-amino-10-methylfolic acid Ledertrexate Emtexate MTX Rheumatrex Trexall METHOTREXATE Methotrexate N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_44185 |
|
| alternative term |
methotrexate 4-amino-N(10)-methylpteroylglutamic acid methotrexatum metotrexato N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid 4-amino-10-methylfolic acid Ledertrexate Emtexate MTX Rheumatrex Trexall METHOTREXATE Methotrexate N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50683 http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_50177 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US2512572 Beilstein:70669 KEGG:D00142 LINCS:LSM-5690 DrugBank:DB00563 KEGG:C01937 PDBeChem:MTX Drug_Central:1751 CAS:59-05-2 Wikipedia:Methotrexate |
|
| formula |
C20H22N8O5 |
|
| has_alternative_id |
CHEBI:44183 CHEBI:6837 |
|
| has_exact_synonym |
METHOTREXATE Methotrexate N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
methotrexate 4-amino-N(10)-methylpteroylglutamic acid methotrexatum metotrexato N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid 4-amino-10-methylfolic acid Ledertrexate Emtexate MTX Rheumatrex Trexall |
|
| id |
CHEBI:44185 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 |
|
| inchikey |
FBOZXECLQNJBKD-ZDUSSCGKSA-N |
|
| is_conjugate_acid_of | ||
| label |
methotrexate |
|
| mass |
454.43960 |
|
| monoisotopicmass |
454.17132 |
|
| notation |
CHEBI:44185 |
|
| prefLabel |
methotrexate |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50683 http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_50177 |
|
| smiles |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26373 |