Chem
J-GLOBAL ID：201207082055990214   Nikkaji number：J3.095.199I

SYR-472

トレラグリプチン
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： C18H20FN5O2
Molecular formula furigana： C18-H20-F-N5-O2
Molecular weight： 357.389
InChI： InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
InChI key： IWYJYHUNXVAVAA-OAHLLOKOSA-N
SMILES： Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Systematic name  (6)：
  • 2-[[6-[(3R)-3-アミノピペリジノ]-3-メチル-2,4-ジオキソ-3,4-ジヒドロピリミジン-1(2H)-イル]メチル]-4-フルオロベンゾニトリル
  • 6-(3α-アミノ-1-ピペリジニル)-1-(2-シアノ-5-フルオロベンジル)-3-メチルピリミジン-2,4(1H,3H)-ジオン
  • 4-(3α-アミノピペリジン-1-イル)-1-メチル-3-(2-シアノ-5-フルオロベンジル)ピリミジン-2,6(1H,3H)-ジオン
  • 2-({6-[(3R)-3-アミノピペリジン-1-イル]-3-メチル-2,4-ジオキソ-3,4-ジヒドロピリミジン-1(2H)-イル}メチル)-4-フルオロベンゾニトリル
  • 2-({6-[(3R)-3-アミノピペリジン-1-イル]-3-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル}メチル)-4-フルオロベンゾニトリル
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Other name (7)：
  • 2-[[6-[(3R)-3-Aminopiperidino]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]methyl]-4-fluorobenzonitrile
  • 2-({6-[(3R)-3-Aminopiperidine-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}hylmet)-4-fluorobenzonitrile
  • 6-(3α-Amino-1-piperidinyl)-1-(2-cyano-5-fluorobenzyl)-3-methylpyrimidine-2,4(1H,3H)-dione
  • SYR-472
  • 4-(3α-Aminopiperidine-1-yl)-1-methyl-3-(2-cyano-5-fluorobenzyl)pyrimidine-2,6(1H,3H)-dione
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CAS registry number： 865759-25-7
Regulation number (1)：
  • 8-(2)-2429
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