methotrexate-N,N/'-bis(decylamide)

For research use only. Not for therapeutic Use.

  • CAT Number: M111748
  • CAS Number: 136181-93-6
  • Molecular Formula: C40H64N10O3
  • Molecular Weight: 733.019
  • Purity: ≥95%
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Catalog Number M111748
CAS Number 136181-93-6
Synonyms

methotrexate-N,N/’-bis(decylamide)

Molecular Formula C40H64N10O3
Purity ≥95%
Storage Store at RT
IUPAC Name (2S)-N,N/'-didecyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanediamide
InChI InChI=1S/C40H64N10O3/c1-4-6-8-10-12-14-16-18-26-43-34(51)25-24-33(39(53)44-27-19-17-15-13-11-9-7-5-2)47-38(52)30-20-22-32(23-21-30)50(3)29-31-28-45-37-35(46-31)36(41)48-40(42)49-37/h20-23,28,33H,4-19,24-27,29H2,1-3H3,(H,43,51)(H,44,53)(H,47,52)(H4,41,42,45,48,49)/t33-/m0/s1
InChIKey JHUNGZQPXRVEDL-XIFFEERXSA-N
SMILES CCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

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