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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28N2O5S2
Molecular Weight 500.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONO-8539

SMILES

CC(C)CN(C1=CC2=C(CCC2)C=C1OCC3=CC=C(C=C3C)C(O)=O)S(=O)(=O)C4=NC=CS4

InChI

InChIKey=ALLLQQUASFFEKP-UHFFFAOYSA-N
InChI=1S/C25H28N2O5S2/c1-16(2)14-27(34(30,31)25-26-9-10-33-25)22-12-18-5-4-6-19(18)13-23(22)32-15-21-8-7-20(24(28)29)11-17(21)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29)

HIDE SMILES / InChI

Molecular Formula C25H28N2O5S2
Molecular Weight 500.63
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
94W010PZ1Z
Record Status Validated (UNII)
Record Version