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Methotrexate Alpha-Methyl Ester

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For Research Use Only | Not For Clinical Use
CATAPS66147293
CAS66147-29-3
Structure
SynonymsMethotrexate α-methyl ester, Methotrexate 1-Methyl Ester,L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1-methyl ester, Methotrexate Imp. I (EP)
IUPAC Name(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
Molecular Weight468.47
Molecular FormulaC21H24N8O5
Canonical SMILESCOC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2
InChIInChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(32)26-14(20(33)34-2)7-8-15(30)31/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,32)(H,30,31)(H4,22,23,24,27,28)/t14-/m0/s1
Accurate Mass468.187
FormatNeat
Product TypeImpurity
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryImpurity standards, Chiral molecules
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