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Details

Stereochemistry ACHIRAL
Molecular Formula C22H16FN7O2S
Molecular Weight 461.472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dalmelitinib

SMILES

CN1C=C(C=N1)C2=CN3C(SC4=CC5=C6OCC(=O)N(C)C6=CN=C5C=C4)=NN=C3C(F)=C2

InChI

InChIKey=MFEXYTURXUZOID-UHFFFAOYSA-N
InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H16FN7O2S
Molecular Weight 461.472
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
4SP7R879Y5
Record Status Validated (UNII)
Record Version