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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19F5N4O3S
Molecular Weight 466.425
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cofrogliptin

SMILES

[H][C@]1(C[C@H](N)[C@]([H])(O[C@@H]1C(F)(F)F)C2=C(F)C=CC(F)=C2)N3CC4=CN(N=C4C3)S(C)(=O)=O

InChI

InChIKey=GUBOXFWNNXSQNH-SVGFKBNWSA-N
InChI=1S/C18H19F5N4O3S/c1-31(28,29)27-7-9-6-26(8-14(9)25-27)15-5-13(24)16(30-17(15)18(21,22)23)11-4-10(19)2-3-12(11)20/h2-4,7,13,15-17H,5-6,8,24H2,1H3/t13-,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19F5N4O3S
Molecular Weight 466.425
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LH4G6K6NKP
Record Status Validated (UNII)
Record Version