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Details

Stereochemistry RACEMIC
Molecular Formula C28H24ClN5OS2
Molecular Weight 546.106
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1,2-BENZISOTHIAZOLYL) ZIPRASIDONE

SMILES

ClC1=CC2=C(C=C1CCN3CCN(CC3)C4=NSC5=C4C=CC=C5)C(C(=O)N2)C6=NSC7=CC=CC=C67

InChI

InChIKey=WMWHMDQKVMOIAL-UHFFFAOYSA-N
InChI=1S/C28H24ClN5OS2/c29-21-16-22-20(25(28(35)30-22)26-18-5-1-3-7-23(18)36-31-26)15-17(21)9-10-33-11-13-34(14-12-33)27-19-6-2-4-8-24(19)37-32-27/h1-8,15-16,25H,9-14H2,(H,30,35)

HIDE SMILES / InChI

Molecular Formula C28H24ClN5OS2
Molecular Weight 546.106
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:44:47 UTC 2023
Edited
by admin
on Sat Dec 16 10:44:47 UTC 2023
Record UNII
SP8WE8Q7IM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1,2-BENZISOTHIAZOLYL) ZIPRASIDONE
Common Name English
2H-INDOL-2-ONE, 3-(1,2-BENZISOTHIAZOL-3-YL)-5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6-CHLORO-1,3-DIHYDRO
Systematic Name English
3-(1,2-BENZISOTHIAZOL-3-YL)-5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZIN-1-YL)ETHYL)-6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE
Systematic Name English
ZIPRASIDONE RELATED COMPOUND D [USP-RS]
Common Name English
ZIPRASIDONE RELATED COMPOUND D [USP IMPURITY]
Common Name English
ZIPRASIDONE RELATED COMPOUND D
Common Name English
ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1724452
Created by admin on Sat Dec 16 10:44:47 UTC 2023 , Edited by admin on Sat Dec 16 10:44:47 UTC 2023
PRIMARY
FDA UNII
SP8WE8Q7IM
Created by admin on Sat Dec 16 10:44:47 UTC 2023 , Edited by admin on Sat Dec 16 10:44:47 UTC 2023
PRIMARY
PUBCHEM
46780660
Created by admin on Sat Dec 16 10:44:47 UTC 2023 , Edited by admin on Sat Dec 16 10:44:47 UTC 2023
PRIMARY
CAS
1159977-04-4
Created by admin on Sat Dec 16 10:44:47 UTC 2023 , Edited by admin on Sat Dec 16 10:44:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP