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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18F6N2O5S
Molecular Weight 512.423
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Iclepertin

SMILES

[H][C@@]12C[C@@]1(CN(C2)C(=O)C3=CC(=CC=C3O[C@H](C)C(F)(F)F)S(C)(=O)=O)C4=NOC(=C4)C(F)(F)F

InChI

InChIKey=MYHDQTVHHMSLEF-DDBGAENHSA-N
InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H18F6N2O5S
Molecular Weight 512.423
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M43ZDU10DD
Record Status Validated (UNII)
Record Version