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Methotrexate for peak identification

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For Research Use Only | Not For Clinical Use
CATAPS59052A
CAS59-05-2
Structure
SynonymsMethotrexat-Ebewe, Methylaminopterin, Trexall, 4-Amino-10-methylfolic acid, Ledertrexate, EMT 25299, 4-Amino-N10-methylpteroylglutamic acid, Methoxtrexate, MTX, CL 14377, Metatrexan, L-Amethopterin, (+)-Amethopterin, R 9985, Methotrexate,N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid, N-[p-[[2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-(+)-glutamic acid, Rheumatrex, Emtexate, Mexate, 4-Amino-N10-methylfolic acid, Amethopterine, NSC 740, L-Methotrexate, Amethopterin, L-(+)-N-[p-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-glutamic acid, Antifolan
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
Accurate Mass454.1713
API FamilyMatrix - API Family See respective official monograph(s)
FormatMixture
Product TypeOther
ShippingRoom Temperature
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryEuropean Pharmacopoeia (Ph. Eur.)
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