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Substance Name: Lysine-iodosalicylyl-methotrexate
RN: 108919-01-3
InChIKey: UUWWSJGDUVBELF-PDXBUTOOSA-N

Molecular Formula

  • C28-H29-I-N12-O5

Molecular Weight

  • 738.616
 
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Names and Synonyms

Results Name

  • Lysine-iodosalicylyl-methotrexate

Name of Substance

  • N(alpha)-(4-Amino-4-deoxy-10-methylpteroyl)-N(epsilon)-(4-azido-5-iodosalicylyl)lysine

Synonyms

  • Lysine-iodosalicylyl-methotrexate
  • N6-(4-Azido-2-hydroxy-5-(iodo-125I)benzoyl)-N2'-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-lysine

Systematic Name

  • L-Lysine, N6-(4-azido-2-hydroxy-5-(iodo-125I)benzoyl)-N2'-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 108919-01-3

System Generated Number

  • 0108919013

Structure Descriptors

InChI

1S/C28H29IN12O5/c1-41(13-15-12-34-24-22(35-15)23(30)37-28(31)38-24)16-7-5-14(6-8-16)25(43)36-19(27(45)46)4-2-3-9-33-26(44)17-10-18(29)20(39-40-32)11-21(17)42/h5-8,10-12,19,42H,2-4,9,13H2,1H3,(H,33,44)(H,36,43)(H,45,46)(H4,30,31,34,37,38)/t19-/m0/s1/i29-2

InChIKey

UUWWSJGDUVBELF-PDXBUTOOSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(C)Cc1nc2c(nc(nc2nc1)N)N)=O)CCCCNC(c1c(cc(c(c1)[125I])N=[N+]=[N-])O)=O)(=O)O