Chem
J-GLOBAL ID：200907030948975498   Nikkaji number：J1.389.394B

Tifolar

チホラール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H19N5Na2O6
Molecular formula furigana： C20-H19-N5-NA2-O6
Molecular weight： 471.381
InChI： InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1
InChI key： NYDXNILOWQXUOF-GXKRWWSZSA-L
SMILES： Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O[Na])C(=O)O[Na])c[nH]c2[nH]1
Systematic name  (4)：
  • N-[4-[2-(2-アミノ-4-オキソ-4,7-ジヒドロ-1H-ピロロ[2,3-d]ピリミジン-5-イル)エチル]ベンゾイル]-L-グルタミン酸ジナトリウム
  • N-[4-[2-[(2-アミノ-4-オキソ-4,7-ジヒドロ-3H-ピロロ[2,3-d]ピリミジン)-5-イル]エチル]ベンゾイル]-L-グルタミン酸ジナトリウム
  • 1,5-二ナトリウム (2S)-2-{[4-(2-{2-アミノ-4-オキソ-1H,4H,7H-ピロロ[2,3-d]ピリミジン-5-イル}エチル)フェニル]ホルムアミド}ペンタンジオアート
  • 1,5-disodium (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioate
Other name (16)：
  • N-[4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl]benzoyl]-L-glutamic acid disodium salt
  • Ly-289739
  • Ly-231514
  • N-[4-[2-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine)-5-yl]ethyl]benzoyl]-L-glutamic acid disodium salt
  • ALIMTA
Show all
CAS registry number： 150399-23-8
KEGG DRUG： D03828
Application (1)：
antineoplastic antimetabolite
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