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Substance Name: D-Amethopterin
RN: 51865-79-3
UNII: W12798130R
InChIKey: FBOZXECLQNJBKD-CYBMUJFWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H22-N8-O5
  • C20-H33-N8-O5

Molecular Weight

  • 454.445
 
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Names and Synonyms

Results Name

  • D-Amethopterin

Name of Substance

  • Methotrexate, (R)-

Synonyms

  • D-Amethopterin
  • D-Methotrexate
  • EINECS 257-482-2
  • N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-D-glutamic acid
  • NSC 117356
  • UNII-W12798130R

Systematic Names

  • D-(-)-N-(2,4-Diamino-6-pteridinyl(dimethylamino)benzoyl)glutamic acid
  • D-glutamic acid, N-(4-(((2,4-diamino-6-pteridyl)methyl)methylamino)benzoyl)-
  • Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, D-

Registry Numbers

CAS Registry Number

  • 51865-79-3

FDA UNII

  • W12798130R

System Generated Number

  • 0051865793

Structure Descriptors

InChI

1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)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)(H4,21,22,23,26,27)/t13-/m1/s1

InChIKey

FBOZXECLQNJBKD-CYBMUJFWSA-N

Smiles

n1c(c2nc(CN(c3ccc(C(N[C@@H](C(=O)O)CCC(=O)O)=O)cc3)C)cnc2nc1N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 18mg/kg (18mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.