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Substance Name: Methotrexate alpha-aspartate
RN: 71074-48-1
InChIKey: FACPCDZDGSEZOG-LSDHHAIUSA-N

Molecular Formula

  • C24-H27-N9-O8

Molecular Weight

  • 569.5323
 
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Names and Synonyms

Name of Substance

  • Methotrexate alpha-aspartate

Synonyms

  • alpha-Aspartyl methotrexate
  • Methotrexate alpha aspartyl ester

Systematic Name

  • L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methy l)methylamino)benzoyl)-L-alpha-glutamyl)-

Registry Numbers

CAS Registry Number

  • 71074-48-1

System Generated Number

  • 0071074481

Structure Descriptors

InChI

1S/C24H27N9O8/c1-33(10-12-9-27-20-18(28-12)19(25)31-24(26)32-20)13-4-2-11(3-5-13)21(38)29-14(6-7-16(34)35)22(39)30-15(23(40)41)8-17(36)37/h2-5,9,14-15H,6-8,10H2,1H3,(H,29,38)(H,30,39)(H,34,35)(H,36,37)(H,40,41)(H4,25,26,27,31,32)/t14-,15+/m0/s1

InChIKey

FACPCDZDGSEZOG-LSDHHAIUSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)O