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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N4O2S
Molecular Weight 492.676
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ent-Lurasidone

SMILES

O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@H]4CCCC[C@@H]4CN5CCN(CC5)C6=NSC7=C6C=CC=C7

InChI

InChIKey=PQXKDMSYBGKCJA-YBEUTXPYSA-N
InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H36N4O2S
Molecular Weight 492.676
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LLK3D758RH
Record Status Validated (UNII)
Record Version