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Substance Name: Dioleoylmethotrexate
RN: 141456-07-7
InChIKey: CEXMEEOLEIGTPF-FRCMOREXSA-N

Molecular Formula

  • C56-H86-N8-O7

Molecular Weight

  • 983.344
 
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Names and Synonyms

Results Name

  • Dioleoylmethotrexate

Synonym

  • Dioleoylmethotrexate

Systematic Name

  • L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, dianhydride with 9-octadecenoic acid, (Z,Z)-

Registry Numbers

CAS Registry Number

  • 141456-07-7

System Generated Number

  • 0141456077

Structure Descriptors

InChI

1S/C56H86N8O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(65)70-50(67)41-40-47(55(69)71-49(66)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)61-54(68)44-36-38-46(39-37-44)64(3)43-45-42-59-53-51(60-45)52(57)62-56(58)63-53/h18-21,36-39,42,47H,4-17,22-35,40-41,43H2,1-3H3,(H,61,68)(H4,57,58,59,62,63)/b20-18+,21-19+

InChIKey

CEXMEEOLEIGTPF-FRCMOREXSA-N

Smiles

C(OC(CCCCCCC\C=C\CCCCCCCC)=O)(CC[C@@H](NC(c1ccc(N(C)Cc2cnc3c(n2)c(nc(n3)N)N)cc1)=O)C(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC)=O