Methotrexate gamma-Methyl Ester

• Synonyms:

  L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 5-methyl ester; Methotrexate 5-Methyl Ester; Methotrexate Imp. H (EP); Methotrexate Related Compound H; Methotrexate Impurity H

• Hazard Statement:

  Toxic if swallowed; UN number: UN2811; Packing Group: III

• Purity:

  >95% (HPLC)

• Smiles:

  COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)O

• Molecular Formula:

  C21 H24 N8 O5

• Molecular Weight:

  468.47

• InChI:

  InChI=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(31)26-14(20(32)33)7-8-15(30)34-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t14-/m0/s1

• Additionnal Information:

  IUPAC name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  67022-39-3