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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N3S
Molecular Weight 219.3075
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE

SMILES

c1ccc2c(c1)c(ns2)N3CCNCC3

InChI

InChIKey=KRDOFMHJLWKXIU-UHFFFAOYSA-N
InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2

HIDE SMILES / InChI

Molecular Formula C11H13N3S
Molecular Weight 219.3075
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 Jun 26 09:27:25 UTC 2021
Edited
by admin
on Sat Jun 26 09:27:25 UTC 2021
Record UNII
59D8RAT1F9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE
Systematic Name English
ID-11614
Code English
ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP]
Common Name English
MJ-14069
Code English
3-PIPERAZIN-1-YL-1,2-BENZISOTHIAZOLE
Systematic Name English
3-PIPERAZIN-1-YL-BENZO(D)ISOTHIAZOLE
Systematic Name English
N-(3-BENZISOTHIAZOLYL)PIPERAZINE
Systematic Name English
ZIPRASIDONE (M5)
Common Name English
LURASIDONE METABOLITE M1
Common Name English
BITP
Common Name English
ZIPRASIDONE MESILATE TRIHYDRATE IMPURITY A [EP]
Common Name English
1,2-BENZISOTHIAZOLE, 3-(1-PIPERAZINYL)-
Systematic Name English
ZIPRASIDONE RELATED COMPOUND A FREE BASE
Common Name English
3-(PIPERAZIN-1-YL)BENZO(D)ISOTHIAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
2772144
Created by admin on Sat Jun 26 09:27:26 UTC 2021 , Edited by admin on Sat Jun 26 09:27:26 UTC 2021
PRIMARY
EPA CompTox
87691-87-0
Created by admin on Sat Jun 26 09:27:26 UTC 2021 , Edited by admin on Sat Jun 26 09:27:26 UTC 2021
PRIMARY
CAS
87691-87-0
Created by admin on Sat Jun 26 09:27:26 UTC 2021 , Edited by admin on Sat Jun 26 09:27:26 UTC 2021
PRIMARY
FDA UNII
59D8RAT1F9
Created by admin on Sat Jun 26 09:27:26 UTC 2021 , Edited by admin on Sat Jun 26 09:27:26 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
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PARENT -> IMPURITY
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PARENT -> IMPURITY
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EP