U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N4O5S
Molecular Weight 540.6764
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ID-20222

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)C6=NS(=O)(=O)c7ccccc76

InChI

InChIKey=VNEDVDMCRJIBPV-HVXLONPLSA-N
InChI=1S/C28H36N4O5S/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)38(36,37)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 C28H36N4O5S
Molecular Weight 540.6764
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 01:31:09 UTC 2021
Edited
by admin
on Sat Jun 26 01:31:09 UTC 2021
Record UNII
BI217QK2ET
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ID-20222
Common Name English
4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, 2-(((1R,2R)-2-((4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)HEXAHYDRO-8-HYDROXY-, STEREOISOMER
Systematic Name English
LURASIDONE METABOLITE (ID-20222)
Common Name English
Code System Code Type Description
CAS
1809349-32-3
Created by admin on Sat Jun 26 01:31:09 UTC 2021 , Edited by admin on Sat Jun 26 01:31:09 UTC 2021
PRIMARY
FDA UNII
BI217QK2ET
Created by admin on Sat Jun 26 01:31:09 UTC 2021 , Edited by admin on Sat Jun 26 01:31:09 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE