TIOSPIRONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H32N4O2S
Molecular Weight	440.601
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIOSPIRONE

Structure Search

SMILES

O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)C4=NSC5=C4C=CC=C5

InChI

InChIKey=ZFZPJDFBJFHYIV-UHFFFAOYSA-N

InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2

HIDE SMILES / InChI

Molecular Formula	C24H32N4O2S
Molecular Weight	440.601
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:49:24 UTC 2023` Edited by `admin` on `Sat Dec 16 17:49:24 UTC 2023`
Record UNII	35C6UMO5SR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TIOSPIRONE

Official Name

English

tiospirone [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28197

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

Code System Code Type Description

WIKIPEDIA

Tiospirone

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

ChEMBL

CHEMBL35057

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

NCI_THESAURUS

C73303

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

EVMPD

SUB11092MIG

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

SMS_ID

100000077236

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

CAS

87691-91-6

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

MESH

C042709

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

INN

6035

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

PUBCHEM

55752

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID90236558

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

FDA UNII

35C6UMO5SR

Created by admin on Sat Dec 16 17:49:25 UTC 2023 , Edited by admin on Sat Dec 16 17:49:25 UTC 2023

PRIMARY

Related Record Type Details


					45Q1DF53NN

TIOSPIRONE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					S7AR22YC9N

2-PIPERAZINONE, 4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					86MBK442EJ

8-AZASPIRO(4.5)DECANE-7,9-DIONE, 8-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-6-HYDROXY-

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					AF6B335MDG

8-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-2-HYDROXY-8-AZASPIRO(4.5)DECANE-7,9-DIONE

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					6IYF3YNJ3B

8-(4-(4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-6-HYDROXY-8-AZASPIRO(4.5)DECANE-7,9-DIONE

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					U6XZ7NU7C3

8-(4-(4-(1,1-DIOXIDO-1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-2-HYDROXY-8-AZASPIRO(4.5)DECANE-7,9-DIONE

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					XE378JC4E6

3-(PIPERAZIN-1-YL)-1,2-BENZOTHIAZOLE-1,1-DIONE

METABOLITE -> PARENT

Qualification:

URINE

Amount:

Related Record Type Details


					35C6UMO5SR

ACTIVE MOIETY