IPSAPIRONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H23N5O3S
Molecular Weight	401.483
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IPSAPIRONE

Structure Search

SMILES

O=C1N(CCCCN2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C4=C1C=CC=C4

InChI

InChIKey=TZJUVVIWVWFLCD-UHFFFAOYSA-N

InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2

HIDE SMILES / InChI

Molecular Formula	C19H23N5O3S
Molecular Weight	401.483
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 `Fri Dec 15 15:29:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:11 UTC 2023`
Record UNII	6J9B11MN0K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IPSAPIRONE

Official Name

English

1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, 1,1-DIOXIDE

Systematic Name

English

ipsapirone [INN]

Common Name

English

2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-1,2-BENZISOTHIAZOLIN-3-ONE 1,1-DIOXIDE

Systematic Name

English

IPSAPIRONE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

NCI_THESAURUS

C28197

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

Code System Code Type Description

CAS

95847-70-4

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

INN

5774

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

MESH

C043077

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

MERCK INDEX

m6395

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

Merck Index

EPA CompTox

DTXSID4045688

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

FDA UNII

6J9B11MN0K

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

SMS_ID

100000083148

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL8412

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

WIKIPEDIA

IPSAPIRONE

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

PUBCHEM

56971

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

NCI_THESAURUS

C74391

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

EVMPD

SUB08290MIG

Created by admin on Fri Dec 15 15:29:11 UTC 2023 , Edited by admin on Fri Dec 15 15:29:11 UTC 2023

PRIMARY

Related Record Type Details


					08R5U8PYVO

IPSAPIRONE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					6J9B11MN0K

ACTIVE MOIETY