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Substance Name: Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine
RN: 97866-97-2
InChIKey: QUXNXPFUXOBMFG-GGEHFJKESA-N

Note

  • Vehicle for methotrexate in liposomes.

Molecular Formula

  • C53-H86-N9-O12-P

Molecular Weight

  • 1072.29
 
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Names and Synonyms

Name of Substance

  • Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine

Synonyms

  • Methotrexate-gamma-1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine
  • Mtx-gamma-dmpe

Systematic Name

  • L-Glutamine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-(4-hydroxy-10-oxo-7-((1-oxotetradecyl)oxy)-3,5,9-trioxa-4-phosphatricos-1-yl)-, P-oxide

Registry Numbers

CAS Registry Number

  • 97866-97-2

System Generated Number

  • 0097866972

Structure Descriptors

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)72-35-34-62(44(52(67)68)32-33-45(54)63)51(66)40-28-30-42(31-29-40)61(3)37-41-36-57-50-48(58-41)49(55)59-53(56)60-50/h28-31,36,43-44H,4-27,32-35,37-39H2,1-3H3,(H2,54,63)(H,67,68)(H,69,70)(H4,55,56,57,59,60)/t43?,44-/m0/s1

InChIKey

QUXNXPFUXOBMFG-GGEHFJKESA-N

Smiles

C([C@@H](N(CCO[P@@](OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)(O)=O)C(c1ccc(cc1)N(C)Cc1nc2c(nc(nc2nc1)N)N)=O)CCC(=O)N)(=O)O