Chem
J-GLOBAL ID:200907087162642691   Nikkaji number:J557.257F

Pralatrexate

プララトレキサート
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: C23H23N7O5
Molecular formula furigana: C23-H23-N7-O5
Molecular weight: 477.481
InChI: InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
InChI key: OGSBUKJUDHAQEA-WMCAAGNKSA-N
SMILES: Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1
Systematic name  (3):
  • N-[4-[1-[(2,4-ジアミノプテリジン-6-イル)メチル]-3-ブチニル]ベンゾイル]-L-グルタミン酸
  • (2S)-2-({4-[1-(2,4-ジアミノプテリジン-6-イル)ペンタ-4-イン-2-イル]フェニル}ホルムアミド)ペンタン二酸
  • (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl}formamido)pentanedioic acid
Other name (5):
  • 10-プロパルギル-10-デアザアミノプテリン
  • 10-Propargyl-10-deazaaminopterin
  • N-[4-[1-[(2,4-Diaminopteridin-6-yl)methyl]-3-butynyl]benzoyl]-L-glutamic acid
  • プララトレキサート
  • Pralatrexate
CAS registry number: 146464-95-1
KEGG DRUG: D05589
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