Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methotrexate 1-methyl ester
RN: 66147-29-3
UNII: 5NL2U9S7K1
InChIKey: JYFDQHNTJJOKAS-AWEZNQCLSA-N

Molecular Formula

  • C21-H24-N8-O5

Molecular Weight

  • 468.4716
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Methotrexate 1-methyl ester

Synonyms

  • (4S)-4-((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)-, 1-methyl ester
  • Methotrexate 1-methyl ester
  • Methotrexate alpha-methyl ester
  • Methotrexate related compound I
  • Methotrexate related compound I [USP]
  • Methotrexate specified impurity I [EP]
  • UNII-5NL2U9S7K1

Registry Numbers

CAS Registry Number

  • 66147-29-3

FDA UNII

  • 5NL2U9S7K1

System Generated Number

  • 0066147293

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(32)26-14(20(33)34-2)7-8-15(30)31/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,32)(H,30,31)(H4,22,23,24,27,28)/t14-/m0/s1

InChIKey

JYFDQHNTJJOKAS-AWEZNQCLSA-N

Smiles

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