Chem
J-GLOBAL ID：200907003216285165   Nikkaji number：J1.816.966E

12-Chlorofolic acid

12-クロロ葉酸
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： C19H18ClN7O6
Molecular formula furigana： C19-H18-CL-N7-O6
Molecular weight： 475.850
InChI： InChI=1S/C19H18ClN7O6/c20-10-5-8(16(30)25-12(18(32)33)3-4-13(28)29)1-2-11(10)22-6-9-7-23-15-14(24-9)17(31)27-19(21)26-15/h1-2,5,7,12,22H,3-4,6H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t12-/m0/s1
InChI key： GVHRIWPOAZFEBN-LBPRGKRZSA-N
SMILES： Nc1nc(=O)c2nc(CNc3ccc(cc3Cl)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-クロロベンゾイル]-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-クロロフェニル)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-chlorophenyl)formamido]pentanedioic acid
Other name (3)：
  • N-[4-[[(2-Amino-1,4-dihydro-4-oxopteridin-6-yl)methyl]amino]-3-chlorobenzoyl]-L-glutamic acid
  • 12-クロロ葉酸
  • 12-Chlorofolic acid
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