Name: (-)-Sitagliptin Carbamoyl Glucuronide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214320603
Cas No:940002-59-5
常用名:(-)-Sitagliptin Carbamoyl Glucuronide
常用名:(-)-Sitagliptin Carbamoyl Glucuronide
IUPAC:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamoyl}oxy)oxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamoyl}oxy)oxane-2-carboxylic acid
InChI key:GKDZQUQEXZXGMZ-KUVPMCASSA-N

分子式:C23H23F6N5O9
分子量:627.453
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@@H]1[C@@H](O)[C@H](OC(=O)N[C@@H](CC(=O)N2CCn3c(C2)nnc3C(F)(F)F)Cc2cc(F)c(F)cc2F)O[C@@H]([C@H]1O)C(O)=O
SMILES:O[C@@H]1[C@@H](O)[C@H](OC(=O)N[C@@H](CC(=O)N2CCn3c(C2)nnc3C(F)(F)F)Cc2cc(F)c(F)cc2F)O[C@@H]([C@H]1O)C(O)=O

(-)-Sitagliptin carbamoyl glucuronide is a minor phase II metabolite of the dipeptidyl peptidase 4 (DPP-4) inhibitor (-)-sitagliptin . (-)-Sitagliptin carbamoyl glucuronide is formed by N-carbamoyl glucuronidation and has been found in rat and dog plasma following administration of (-)-sitagliptin.

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