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The Drug Ontology
Last uploaded:
December 20, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_44185
http://purl.obolibrary.org/obo/CHEBI_44185
|
|---|---|
| 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
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
methotrexate
|
|---|---|
| prefLabel |
methotrexate
|
| 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
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|
| notation |
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
|
| 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
See more
See less
|
| id |
CHEBI:44185
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C20H22N8O5
|
| subClassOf | |
| inchikey |
FBOZXECLQNJBKD-ZDUSSCGKSA-N
|
| mass |
454.43960
|
| monoisotopicmass |
454.17132
|
| has functional parent | |
| has_alternative_id |
CHEBI:44183
CHEBI:6837
|
| type | |
| smiles |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
|
| has_RxCUI |
6851
|
| has role |
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|
| has_exact_synonym |
METHOTREXATE
Methotrexate
N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
|
| has characteristic |
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|
| alternative label |
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
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|
| is conjugate acid of |
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