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Details

Stereochemistry ACHIRAL
Molecular Formula 2C16H15N2O3S.Mg
Molecular Weight 655.039
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FEBUXOSTAT MAGNESIUM

SMILES

[Mg++].CC(C)COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C([O-])=O)C#N.CC(C)COC3=C(C=C(C=C3)C4=NC(C)=C(S4)C([O-])=O)C#N

InChI

InChIKey=BNABHEFFEDHWIR-UHFFFAOYSA-L
InChI=1S/2C16H16N2O3S.Mg/c2*1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20;/h2*4-6,9H,8H2,1-3H3,(H,19,20);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C16H15N2O3S
Molecular Weight 315.367
Charge -1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
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
4UB2J8Q7HG
Record Status Validated (UNII)
Record Version