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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19N3O4S
Molecular Weight 397.448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sipagladenant

SMILES

CC1=CC=C(C=N1)C(=O)NC2=NC(C3=CC=CO3)=C(S2)C(=O)C4CCOCC4

InChI

InChIKey=KMFLQPJJHQNKKF-UHFFFAOYSA-N
InChI=1S/C20H19N3O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25)

HIDE SMILES / InChI

Molecular Formula C20H19N3O4S
Molecular Weight 397.448
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
FF2012ZV92
Record Status Validated (UNII)
Record Version