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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32N2O5S
Molecular Weight 424.554
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DANAVOREXTON

SMILES

COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]2CC[C@H](CC2)C3=CC=CC=C3

InChI

InChIKey=UXZAJSZFFARTEI-YRPNKDGESA-N
InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32N2O5S
Molecular Weight 424.554
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1QMD83K4YN
Record Status Validated (UNII)
Record Version