Chem
J-GLOBAL ID：200907016482668970   Nikkaji number：J1.816.965G

12-Nitrofolic acid

12-ニトロ葉酸
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： C19H18N7[N+]O7[O-]
Molecular formula furigana： C19-H18-N8-O8
Molecular weight： 486.401
InChI： InChI=1S/C19H18N8O8/c20-19-25-15-14(17(31)26-19)23-9(7-22-15)6-21-10-2-1-8(5-12(10)27(34)35)16(30)24-11(18(32)33)3-4-13(28)29/h1-2,5,7,11,21H,3-4,6H2,(H,24,30)(H,28,29)(H,32,33)(H3,20,22,25,26,31)/t11-/m0/s1
InChI key： OPGWPDSACKHWPE-NSHDSACASA-N
SMILES： Nc1nc(=O)c2nc(CNc3ccc(cc3[N+](=O)[O-])C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1
Systematic name  (3)：
  • N-[4-[[(2-アミノ-1,4-ジヒドロ-4-オキソプテリジン-6-イル)メチル]アミノ]-3-ニトロベンゾイル]-L-グルタミン酸
  • (2S)-2-[(4-{[(2-アミノ-4-オキソ-1,4-ジヒドロプテリジン-6-イル)メチル]アミノ}-3-ニトロフェニル)ホルムアミド]ペンタン二酸
  • (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}-3-nitrophenyl)formamido]pentanedioic acid
Other name (3)：
  • N-[4-[[(2-Amino-1,4-dihydro-4-oxopteridin-6-yl)methyl]amino]-3-nitrobenzoyl]-L-glutamic acid
  • 12-ニトロ葉酸
  • 12-Nitrofolic acid
Thsaurus map：
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