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Substance Name: Methotrexate-alpha-monoamide
RN: 71074-47-0
InChIKey: PZTCDGVNNVDWMI-ZDUSSCGKSA-N

Molecular Formula

  • C20-H23-N9-O4

Molecular Weight

  • 453.4607
 
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Names and Synonyms

Name of Substance

  • Methotrexate-alpha-monoamide

Synonym

  • N-(N'-(2,4-Diamino-6-pteridinyl)methyl-N'-methyl-4-aminobenzoyl)-L-isoglutamine

Systematic Name

  • Pentanoic acid, 5-amino-4-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-5-oxo-, (S)-

Registry Numbers

CAS Registry Number

  • 71074-47-0

System Generated Number

  • 0071074470

Structure Descriptors

InChI

1S/C20H23N9O4/c1-29(9-11-8-24-18-15(25-11)16(21)27-20(23)28-18)12-4-2-10(3-5-12)19(33)26-13(17(22)32)6-7-14(30)31/h2-5,8,13H,6-7,9H2,1H3,(H2,22,32)(H,26,33)(H,30,31)(H4,21,23,24,27,28)/t13-/m0/s1

InChIKey

PZTCDGVNNVDWMI-ZDUSSCGKSA-N

Smiles

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