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Substance Name: 7-Methotrexate
RN: 52980-66-2
InChIKey: UUVPYTIBUIBXTJ-ZDUSSCGKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N8-O5

Molecular Weight

  • 454.4448
 
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Names and Synonyms

Results Name

  • 7-Methotrexate

Synonyms

  • 7-Methotrexate
  • 7-Mtx
  • BRN 4052915
  • N-(4-(((2,4-Diamino-7-pteridinyl)methyl)methylamino)benzoyl)-L-glutamic acid
  • N-(4-(((2,4-Diamino-7-pteridyl)methyl)-N(sup 10)-methylamino)benzoyl)glutamic acid

Systematic Names

  • Glutamic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-, L-
  • L-Glutamic acid, N-(4-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 52980-66-2

System Generated Number

  • 0052980662

Structure Descriptors

InChI

1S/C20H22N8O5/c1-28(9-11-8-23-15-16(21)26-20(22)27-17(15)24-11)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1

InChIKey

UUVPYTIBUIBXTJ-ZDUSSCGKSA-N

Smiles

CN(Cc1cnc2c(nc(nc2n1)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 691mg/kg (691mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 758, 1974.