Chem
J-GLOBAL ID：200907035877086508   Nikkaji number：J89.991G

N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid disodium salt

N-[4-[[(2,4-ジアミノ-6-プテリジニル)メチル]アミノ]ベンゾイル]-L-グルタミン酸二ナトリウム
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： C19H18N8Na2O5
Molecular formula furigana： C19-H18-N8-NA2-O5
Molecular weight： 484.384
InChI： InChI=1S/C19H20N8O5.2Na/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);;/q;2*+1/p-2/t12-;;/m0../s1
InChI key： USOUFAHHWNKDJC-LTCKWSDVSA-L
SMILES： Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O[Na])C(=O)O[Na])cnc2n1
Systematic name  (3)：
  • N-[4-[[(2,4-ジアミノ-6-プテリジニル)メチル]アミノ]ベンゾイル]-L-グルタミン酸二ナトリウム
  • 1,5-二ナトリウム (2S)-2-[(4-{[(2,4-ジアミノプテリジン-6-イル)メチル]アミノ}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-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
Other name (1)：
  • N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid disodium salt
CAS registry number： 58602-66-7
KEGG DRUG： D02527
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