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AMETHOPTERIDINE

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 3 MS (GC)

AMETHOPTERIDINE
SpectraBase Compound ID 2YU5mzHST1R
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)
InChIKey FBOZXECLQNJBKD-UHFFFAOYSA-N
Mol Weight 454.45 g/mol
Molecular Formula C20H22N8O5
Exact Mass 454.171316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sJfQI9IHr9
Name N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid
Alternate Name(s) (+)-Amethopterin 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid 4-Amino-10-methylfolic acid 4-Amino-n(sup 10)-methylpteroylglutamic acid 4-Amino-N10-methylpteroylglutamic acid 4-Aminomethylpteroylglutamic acid 6-MTX A-methopterin A-methpterin Abitrexate Amethopterin L- Amethopterine Antifolan DL-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- DL-Methotrexate EMT 25,299 Emtexate FOLEX Folex-pfs Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, dl- Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L- Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)- HDMTX Kyselina 4-amino-n(sup 10)-methylpteroylglutamova Kyselina 4-amino-N10-methylpteroylglutamova Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid L-Amethopterin Ledertrexate Metatrexan Methotextrate Methotrexat Methotrexat-Ebewe Methotrexate Methotrexate sodium Methotrexate, L- Methotrexatum Methylaminopterin Methylaminopterinum Metotressato Metotrexato Mexate MTX N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-dl-glutamic acid N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid N-(p-(((2,4-diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid N-Bismethylpteroylglutamic acid N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid Rheumatrex X 133 AI3-25299 CCRIS 1109 CL 14377 EINECS 200-413-8 HSDB 3123 NCI-C04671 R 9985
CAS Registry Number 59-05-2
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Formula C20H22N8O5
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)
InChIKey FBOZXECLQNJBKD-UHFFFAOYSA-N
Molecular Weight 454.447 g/mol
SMILES Nc1c2c(nc(n1)N)ncc(n2)CN(C)c1ccc(C(NC(C(=O)O)CCC(=O)O)=O)cc1
SPLASH splash10-0fai-6900000000-1feb204ac241a0d0c122
Source of Spectrum NP-19-263-0
Wiley ID 1112439