Methotrexate-gamma-1,2-Dimyristoylphosphatidylethanolamine
[CAS# 97866-97-2]

Identification

• Name: Methotrexate-gamma-1,2-Dimyristoylphosphatidylethanolamine
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-[2-[2,3-Di(Tetradecanoyloxy)Propoxy-Hydroxy-Phosphoryl]Oxyethylamino]-5-Oxo-Pentanoic Acid; (2S)-5-[2-[2,3-Bis(1-Oxotetradecoxy)Propoxy-Hydroxyphosphoryl]Oxyethylamino]-2-[[[4-[(2,4
• Molecular Formula: C₅₃H₈₆N₉O₁₂P
• Molecular Weight: 1072.29
• CAS Registry Number: 97866-97-2
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)O)CCC(=O)NCCO[P](OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(=O)O
• InChI: 1S/C53H86N9O12P/c1-4-6-8-10-12-14-16-18-20-22-24-26-46(64)71-38-43(74-47(65)27-25-23-21-19-17-15-13-11-9-7-5-2)39-73-75(69,70)72-35-34-56-45(63)33-32-44(52(67)68)59-51(66)40-28-30-42(31-29-40)62(3)37-41-36-57-50-48(58-41)49(54)60-53(55)61-50/h28-31,36,43-
• InChIKey: BPKPCWWIZKJGRK-GGEHFJKESA-N

Properties

• Density: 1.2g/cm³ (Cal.)