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Substance Name: Methotrexate-alpha-arginine
RN: 129921-89-7
InChIKey: JXNOYJVKQNZUFW-SJORKVTESA-N

Molecular Formula

  • C26-H34-N12-O6

Molecular Weight

  • 610.633
 
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Names and Synonyms

Name of Substance

  • Methotrexate-alpha-arginine

Synonyms

  • Mtx-arg
  • N2-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-D-alpha-glutamyl)-L-arginine

Systematic Name

  • L-Arginine, N2-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-D-alpha-glutamyl)-

Registry Numbers

CAS Registry Number

  • 129921-89-7

System Generated Number

  • 0129921897

Structure Descriptors

InChI

1S/C26H34N12O6/c1-38(12-14-11-32-21-19(33-14)20(27)36-26(30)37-21)15-6-4-13(5-7-15)22(41)34-16(8-9-18(39)40)23(42)35-17(24(43)44)3-2-10-31-25(28)29/h4-7,11,16-17H,2-3,8-10,12H2,1H3,(H,34,41)(H,35,42)(H,39,40)(H,43,44)(H4,28,29,31)(H4,27,30,32,36,37)/t16-,17+/m1/s1

InChIKey

JXNOYJVKQNZUFW-SJORKVTESA-N

Smiles

C([C@@H](NC([C@H](NC(c1ccc(cc1)N(C)Cc1nc2c(nc(nc2nc1)N)N)=O)CCC(=O)O)=O)CCCNC(=N)N)(=O)O