Chem
J-GLOBAL ID:200907021128187461   Nikkaji number:J696.080D

Pemetrexed

ペメトレキセド
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: C20H21N5O6
Molecular formula furigana: C20-H21-N5-O6
Molecular weight: 427.417
InChI: InChI=1S/C20H21N5O6/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)/t13-/m0/s1
InChI key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
SMILES: Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c[nH]c2[nH]1
Systematic name  (6):
  • N-[4-[2-[(2-アミノ-4,7-ジヒドロ-4-オキソ-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
  • 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
  • (2S)-2-[4-[2-(2-アミノ-3,4-ジヒドロ-4-オキソ-7H-ピロロ[2,3-d]ピリミジン-5-イル)エチル]ベンゾイルアミノ]グルタル酸
  • 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
  • (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}ペンタン二酸
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Other name (9):
  • NSC-698037
  • N-[4-[2-[(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin)-5-yl]ethyl]benzoyl]-L-glutamic acid
  • N-[4-[2-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin)-5-yl]ethyl]benzoyl]-L-glutamic acid
  • ペメトレキセド
  • Pemetrexed
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CAS registry number: 137281-23-3
KEGG DRUG: D07472
Application (1):
antitumor drug
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