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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N6O
Molecular Weight 310.3537
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELGOCITINIB

SMILES

C[C@H]1CN(C(=O)CC#N)[C@]12CCN(C2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=LOWWYYZBZNSPDT-ZBEGNZNMSA-N
InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18N6O
Molecular Weight 310.3537
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9L0Q8KK220
Record Status Validated (UNII)
Record Version