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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N3S
Molecular Weight 219.306
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

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

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 219.306
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
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
4
07429585
2
07625902
11
07667037
2
JPH0517440A
2
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:55:27 GMT 2023
Edited
by admin
on Sat Dec 16 10:55:27 GMT 2023
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
MJ-14069
Code English
3-PIPERAZIN-1-YL-1,2-BENZISOTHIAZOLE
Systematic Name English
ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
3-PIPERAZIN-1-YL-BENZO(D)ISOTHIAZOLE
Systematic Name English
N-(3-BENZISOTHIAZOLYL)PIPERAZINE
Systematic Name English
ZIPRASIDONE MESILATE TRIHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
ZIPRASIDONE (M5)
Common Name English
LURASIDONE METABOLITE M1
Common Name English
BITP
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 Dec 16 10:55:28 GMT 2023 , Edited by admin on Sat Dec 16 10:55:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID70236556
Created by admin on Sat Dec 16 10:55:28 GMT 2023 , Edited by admin on Sat Dec 16 10:55:28 GMT 2023
PRIMARY
CAS
87691-87-0
Created by admin on Sat Dec 16 10:55:28 GMT 2023 , Edited by admin on Sat Dec 16 10:55:28 GMT 2023
PRIMARY
FDA UNII
59D8RAT1F9
Created by admin on Sat Dec 16 10:55:28 GMT 2023 , Edited by admin on Sat Dec 16 10:55:28 GMT 2023
PRIMARY
Related Record Type Details
Structure of 3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE MONOHYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of LURASIDONE
PARENT -> METABOLITE
Structure of ZIPRASIDONE
PARENT -> METABOLITE
Related Record Type Details
Structure of ZIPRASIDONE MESYLATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ZIPRASIDONE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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