Methotrexate Hexaglutamate Trifluoroacetate

Methotrexate Hexaglutamate Trifluoroacetate

• Synonyms: N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamic Acid Trifluoroacetate; N-[N-[N-[N-[N-[N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-glutamic Acid Trifluoroacetate
• Hazard Statement: Harmful if swallowed
• Smiles: CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O.OC(=O)C(F)(F)F
• Molecular Formula: C45 H57 N13 O20 . x(C2 H F3 O2)
• Molecular Weight: 1214.03
• InChI: InChI=1S/C45H57N13O20.C2HF3O2/c1-58(19-21-18-48-37-35(49-21)36(46)56-45(47)57-37)22-4-2-20(3-5-22)38(66)55-28(44(77)78)10-16-33(63)53-26(42(73)74)8-14-31(61)51-24(40(69)70)6-12-29(59)50-23(39(67)68)7-13-30(60)52-25(41(71)72)9-15-32(62)54-27(43(75)76)11-17-34(64)65;3-2(4,5)1(6)7/h2-5,18,23-28H,6-17,19H2,1H3,(H,50,59)(H,51,61)(H,52,60)(H,53,63)(H,54,62)(H,55,66)(H,64,65)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H4,46,47,48,56,57);(H,6,7)/t23-,24-,25-,26-,27-,28-;/m0./s1
• Additionnal Information: IUPAC name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C