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Substance Name: Methotrexate 5-methyl ester
RN: 67022-39-3
UNII: 98597RH43H
InChIKey: RYGFOBBTCUXHBB-AWEZNQCLSA-N

Molecular Formula

  • C21-H24-N8-O5

Molecular Weight

  • 468.4716
 
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Names and Synonyms

Name of Substance

  • Methotrexate 5-methyl ester

Synonyms

  • (2S)-2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)benzoyl)amino)-5-methoxy-5-oxopentanoic acid
  • L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, 5-methyl ester
  • Methotrexate 5-methyl ester
  • Methotrexate related compound H
  • Methotrexate related compound H [USP]
  • Methotrexate specified impurity H [EP]
  • UNII-98597RH43H

Registry Numbers

CAS Registry Number

  • 67022-39-3

FDA UNII

  • 98597RH43H

System Generated Number

  • 0067022393

Structure Descriptors

InChI

1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(31)26-14(20(32)33)7-8-15(30)34-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t14-/m0/s1

InChIKey

RYGFOBBTCUXHBB-AWEZNQCLSA-N

Smiles

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