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methotrexate

MNXM729876 is deprecated and here replaced by MNXM1105979
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1105979Image of MNXM1105979
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC20H22N8O5
charge0
mass454.17132
referencechebi:44185
InChIKeyFBOZXECLQNJBKD-ZDUSSCGKSA-N
InChIInChI=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
SMILESCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:44185
chebi:44185 		methotrexate
4-amino-10-methylfolic acid
4-amino-N(10)-methylpteroylglutamic acid
Emtexate
Ledertrexate
METHOTREXATE
MTX
Methotrexate
N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
Rheumatrex
Trexall
methotrexatum
metotrexato
kegg.compound:C01937
keggC:C01937 		Methotrexate
kegg.drug:D00142
keggD:D00142 		Methotrexate (JP18/USP/INN)
Otrexup (TN)
Xatmep (TN)
hmdb:HMDB0014703 Methotrexate
(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
4-Amino-10-methylfolate
4-Amino-10-methylfolic acid
4-Amino-N(10)-methylpteroylglutamate
4-Amino-N(10)-methylpteroylglutamic acid
Amethopterin
Amethopterine
Dicesium salt methotrexate
Emtexate
Emtexic acid
HDMTX
Hydrate, methotrexate
L-Amethopterin
Ledertrexate
Ledertrexic acid
MTX
Methopterin
Methotextrate
Methotrexat
Methotrexate hydrate
Methotrexate sodium
Methotrexate, (D)-isomer
Methotrexate, (DL)-isomer
Methotrexate, dicesium salt
Methotrexate, disodium salt
Methotrexate, sodium salt
Methotrexatum
Methotrexic acid
Methylaminopterin
Methylaminopterinum
Metotrexato
Mexate
N-Bismethylpteroylglutamic acid
N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate
N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
Otrexup
Rheumatrex
Sodium, methotrexate
Trexall
Xatmep
methotrexate
sabiork.compound:87
sabiorkM:87 		Methotrexate
2,4-Diamino-N10-methylpteroyl glutamate
MTX
Rheumatrex
seed.compound:cpd01330
seedM:cpd01330 		Methotrexate
methotrexate
CHEBI:50680
chebi:50680 		methotrexate(1-)
(2S)-4-carboxy-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)butanoate
CHEBI:50681
chebi:50681 		methotrexate
(2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate
methotrexate(2-)
metacyc.compound:CPD-6041
metacycM:CPD-6041 		methotrexate
amethopterin
hmdb:HMDB14703
chebi:44183
chebi:6837
keggC:M_C01937
keggD:M_D00142
seedM:M_cpd01330 		secondary/obsolete/fantasy identifier