Chem
J-GLOBAL ID：200907005545435197   Nikkaji number：J2.705.850G

Anhydroleucovorin

アンヒドロロイコボリン
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： C20H22N6[N+]O6
Molecular formula furigana： C20-H22-N7-O6
Molecular weight： 456.438
InChI： InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12-,13+/m1/s1
InChI key： MEANFMOQMXYMCT-OLZOCXBDSA-O
SMILES： Nc1nc2NC[C@@H]3C[N+](=CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Systematic name  (5)：
  • (6aR)-3-アミノ-8-[4-[[(S)-1,3-ジカルボキシプロピル]カルバモイル]フェニル]-1-オキソ-1,2,5,6,6a,7-ヘキサヒドロイミダゾ[1,5-f]プテリジン-8-イウム
  • N-[4-[[(6aR)-3-アミノ-1,2,5,6a,7,8-ヘキサヒドロ-1-オキソ-6H-イミダゾ[1,5-f]プテリジン-10-イウム]-8-イル]ベンゾイル]-L-グルタミン酸
  • N-[4-[[(6aR)-3-アミノ-1,2,5,6,6a,7-ヘキサヒドロ-1-オキソ-8H-イミダゾ[1,5-f]プテリジン-8-イウム]-8-イル]ベンゾイル]-L-グルタミン酸
  • (6aR)-3-アミノ-8-(4-{[(1S)-1,3-ジカルボキシプロピル]カルバモイル}フェニル)-1-オキソ-1H,2H,5H,6H,6aH,7H-8λ5-イミダゾ[1,5-f]プテリジン-8-イリウム
  • (6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-1H,2H,5H,6H,6aH,7H-8λ5-imidazo[1,5-f]pteridin-8-ylium
Other name (9)：
  • (6aR)-3-Amino-8-[4-[[(S)-1,3-dicarboxypropyl]carbamoyl]phenyl]-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridine-8-ium
  • N-[4-[[(6aR)-3-Amino-1,2,5,6a,7,8-hexahydro-1-oxo-6H-imidazo[1,5-f]pteridine-10-ium]-8-yl]benzoyl]-L-glutamic acid
  • (6R)-5,10-メテニルテトラヒドロ葉酸
  • (6R)-5,10-Methenyltetrahydrofolic acid
  • N-[4-[[(6aR)-3-Amino-1,2,5,6,6a,7-hexahydro-1-oxo-8H-imidazo[1,5-f]pteridine-8-ium]-8-yl]benzoyl]-L-glutamic acid
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CAS registry number： 7444-29-3
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