Chem
J-GLOBAL ID:200907005545435197
Nikkaji number:J2.705.850G
Anhydroleucovorin
アンヒドロロイコボリン
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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:
C20 H22 N6 [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):
CAS registry number:
7444-29-3
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