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Methotrexate

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For Research Use Only | Not For Clinical Use
CATAPS59052
CAS59-05-2
Structure
MDL NumberMFCD00064370
SynonymsL-Amethopterin, 4-Amino-N10-methylfolic acid, Ledertrexate, 4-Amino-10-methylfolic acid, NSC 740, CL 14377, Antifolan, Methoxtrexate, Methylaminopterin, L-(+)-N-[p-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-glutamic acid, Metatrexan, N-[p-[[2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-(+)-glutamic acid, Amethopterine, 4-Amino-N10-methylpteroylglutamic acid, Methotrexate, R 9985, Methotrexat-Ebewe, Amethopterin, EMT 25299, MTX, Rheumatrex, Trexall, (+)-Amethopterin, Mexate, Emtexate,N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid, L-Methotrexate
IUPAC Name(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Molecular Weight454.44
Molecular FormulaC20H22N8O5
Canonical SMILESCN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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
InChI KeyFBOZXECLQNJBKD-ZDUSSCGKSA-N
REAXYS Number70669
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass454.1713
FormatNeat
Size500MG
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