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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N3S.ClH
Molecular Weight 255.767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

Cl.C1CN(CCN1)C2=NSC3=C2C=CC=C3

InChI

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

HIDE SMILES / InChI
Molecular Formula C11H13N3S
Molecular Weight 219.306
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Patents

Patents

04780466
2
04933453
2
05037984
7
05136037
2
05229388
2
05371087
2
05532240
4
05550130
8
05552414
8
05559116
8
05637710
5
05652241
5
05654319
5
05691330
2
05801186
2
05874435
5
05889035
4
05919784
2
05935960
2
05965546
4
06043240
4
06111105
2
06284775
2
06420390
3
07101886
2
07241761
5
07429585
2
07625902
11
07667037
2
JPH0517440A
2
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:31:19 GMT 2025
Edited
by admin
on Mon Mar 31 23:31:19 GMT 2025
Record UNII
OSY1987N5V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE MONOHYDROCHLORIDE
Systematic Name English
ZIPRASIDONE RELATED COMPOUND A
USP-RS  
Preferred Name English
4-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZINE HYDROCHLORIDE
Systematic Name English
ZIPRASIDONE RELATED COMPOUND A [USP IMPURITY]
Common Name English
ZIPRASIDONE RELATED COMPOUND A [USP-RS]
Common Name English
3-PIPERAZINYL-1,2-BENZISOTHIAZOLE HYDROCHLORIDE
Systematic Name English
1,2-BENZISOTHIAZOLE, 3-(1-PIPERAZINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30236557
Created by admin on Mon Mar 31 23:31:19 GMT 2025 , Edited by admin on Mon Mar 31 23:31:19 GMT 2025
PRIMARY
CAS
87691-88-1
Created by admin on Mon Mar 31 23:31:19 GMT 2025 , Edited by admin on Mon Mar 31 23:31:19 GMT 2025
PRIMARY
RS_ITEM_NUM
1724419
Created by admin on Mon Mar 31 23:31:19 GMT 2025 , Edited by admin on Mon Mar 31 23:31:19 GMT 2025
PRIMARY
PUBCHEM
11521711
Created by admin on Mon Mar 31 23:31:19 GMT 2025 , Edited by admin on Mon Mar 31 23:31:19 GMT 2025
PRIMARY
FDA UNII
OSY1987N5V
Created by admin on Mon Mar 31 23:31:19 GMT 2025 , Edited by admin on Mon Mar 31 23:31:19 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-(1-Piperazinyl)-1,2-benzisothiazole
PARENT -> SALT/SOLVATE
NIH
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