(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid dimethyl ester

SpectraBase Compound ID	hA44g6fBn3
InChI	InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1
InChIKey	DIQFVFAFHNQUTG-HNNXBMFYSA-N Google Search
Mol Weight	482.5 g/mol
Molecular Formula	C22H26N8O5
Exact Mass	482.202616 g/mol

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SpectraBase Spectrum ID	5WjHmE8oIB3
Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid dimethyl ester
Alternate Name(s)	(2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester Dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate Dimethyl (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Dimethyl methotrexate Methotrexate dimethyl ester
CAS Registry Number	34378-65-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H26N8O5
InChI	InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1
InChIKey	DIQFVFAFHNQUTG-HNNXBMFYSA-N
Molecular Weight	482.501 g/mol
SMILES	N(C(c1ccc(N(Cc2nc3c(nc(nc3nc2)N)N)C)cc1)=O)[C@](C(=O)OC)(CCC(=O)OC)[H]
SPLASH	splash10-003r-2900000000-a6a9c22ed8c3140cecf7
Source of Spectrum	KO-5-162-1
Wiley ID	1395534