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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N4O3S
Molecular Weight 508.6776
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ID-14326

SMILES

C1CC[C@@]([H])(CN2C(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@]3([H])C2=O)[C@@]4([H])O)[C@@]([H])(C1)CN5CCN(CC5)c6c7ccccc7sn6

InChI

InChIKey=VKVBDORNIIAKBR-KKNIMOQNSA-N
InChI=1S/C28H36N4O3S/c33-25-20-9-10-21(25)24-23(20)27(34)32(28(24)35)16-18-6-2-1-5-17(18)15-30-11-13-31(14-12-30)26-19-7-3-4-8-22(19)36-29-26/h3-4,7-8,17-18,20-21,23-25,33H,1-2,5-6,9-16H2/t17-,18-,20-,21+,23-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36N4O3S
Molecular Weight 508.6776
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:35:57 UTC 2021
Edited
by admin
on Sat Jun 26 01:35:57 UTC 2021
Record UNII
5Z4T08JI5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ID-14326
Code English
(3AR,4R,7S,7AS,8S)-2-(((1R,2R)-2-((4-(BENZO[D]ISOTHIAZOL-3-YL)PIPERAZIN-1-YL)METHYL)CYCLOHEXYL)METHYL)-8-HYDROXYHEXAHYDRO-1H-4,7-METHANOISOINDOLE-1,3(2H)-DIONE
Systematic Name English
STEREOISOMER OF 2-[[2-[[4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL]METHYL]CYCLOHEXYL]METHYL]HEXAHYDRO-8-HYDROXY-4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE
Common Name English
LURASIDONE METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
5Z4T08JI5F
Created by admin on Sat Jun 26 01:35:57 UTC 2021 , Edited by admin on Sat Jun 26 01:35:57 UTC 2021
PRIMARY
CAS
1796569-32-8
Created by admin on Sat Jun 26 01:35:57 UTC 2021 , Edited by admin on Sat Jun 26 01:35:57 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE