Chem
J-GLOBAL ID：201407015645031773   Nikkaji number：J3.271.252E

ent-Sitagliptin

ent-シタグリプチン
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： C16H15F6N5O
Molecular formula furigana： C16-H15-F6-N5-O
Molecular weight： 407.320
InChI： InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m0/s1
InChI key： MFFMDFFZMYYVKS-VIFPVBQESA-N
SMILES： N[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Systematic name  (3)：
  • (3S)-1-[3-(トリフルオロメチル)-5,6,7,8-テトラヒドロ-1,2,4-トリアゾロ[4,3-a]ピラジン-7-イル]-3-アミノ-4-(2,4,5-トリフルオロフェニル)ブタン-1-オン
  • (3S)-3-アミノ-1-[3-(トリフルオロメチル)-5H,6H,7H,8H-[1,2,4]トリアゾロ[4,3-a]ピラジン-7-イル]-4-(2,4,5-トリフルオロフェニル)ブタン-1-オン
  • (3S)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
Other name (3)：
  • (3S)-1-[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butane-1-one
  • ent-シタグリプチン
  • ent-Sitagliptin
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