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

Details

Stereochemistry UNKNOWN
Molecular Formula C24H32N4O5S
Molecular Weight 488.6
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(4-(4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-2-HYDROXY-8-AZASPIRO(4.5)DECANE-7,9-DIONE

SMILES

OC1CCC2(C1)CC(=O)N(CCCCN3CCN(CC3)C4=NS(=O)(=O)C5=C4C=CC=C5)C(=O)C2

InChI

InChIKey=NZUDEYKEOCEUJH-UHFFFAOYSA-N
InChI=1S/C24H32N4O5S/c29-18-7-8-24(15-18)16-21(30)28(22(31)17-24)10-4-3-9-26-11-13-27(14-12-26)23-19-5-1-2-6-20(19)34(32,33)25-23/h1-2,5-6,18,29H,3-4,7-17H2

HIDE SMILES / InChI

Molecular Formula C24H32N4O5S
Molecular Weight 488.6
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:57:34 GMT 2023
Edited
by admin
on Sat Dec 16 15:57:34 GMT 2023
Record UNII
U6XZ7NU7C3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(4-(4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-2-HYDROXY-8-AZASPIRO(4.5)DECANE-7,9-DIONE
Systematic Name English
8-AZASPIRO(4.5)DECANE-7,9-DIONE, 8-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-2-HYDROXY-, S,S-DIOXIDE
Systematic Name English
8-AZASPIRO(4.5)DECANE-7,9-DIONE, 8-(4-(4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-2-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
U6XZ7NU7C3
Created by admin on Sat Dec 16 15:57:34 GMT 2023 , Edited by admin on Sat Dec 16 15:57:34 GMT 2023
PRIMARY
CAS
131779-39-0
Created by admin on Sat Dec 16 15:57:34 GMT 2023 , Edited by admin on Sat Dec 16 15:57:34 GMT 2023
PRIMARY
PUBCHEM
15068022
Created by admin on Sat Dec 16 15:57:34 GMT 2023 , Edited by admin on Sat Dec 16 15:57:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE