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Details

Stereochemistry MIXED
Molecular Formula C42H40Cl2N8O3S2
Molecular Weight 839.855
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,5'-BIS(2-(4-(BENZO(D)ISOTHIAZOL-3-YL)PIPERAZIN-1-YL)ETHYL)-6,6'-DICHLORO-3-HYDROXY-(3,3'-BIINDOLINE)-2,2'-DIONE

SMILES

OC6(C1C(=O)NC2=C1C=C(CCN3CCN(CC3)C4=NSC5=C4C=CC=C5)C(Cl)=C2)C(=O)NC7=C6C=C(CCN8CCN(CC8)C9=NSC%10=C9C=CC=C%10)C(Cl)=C7

InChI

InChIKey=JXXKGHVYXULCTC-UHFFFAOYSA-N
InChI=1S/C42H40Cl2N8O3S2/c43-31-23-33-29(21-25(31)9-11-49-13-17-51(18-14-49)38-27-5-1-3-7-35(27)56-47-38)37(40(53)45-33)42(55)30-22-26(32(44)24-34(30)46-41(42)54)10-12-50-15-19-52(20-16-50)39-28-6-2-4-8-36(28)57-48-39/h1-8,21-24,37,55H,9-20H2,(H,45,53)(H,46,54)

HIDE SMILES / InChI

Molecular Formula C42H40Cl2N8O3S2
Molecular Weight 839.855
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:56:44 UTC 2023
Edited
by admin
on Sat Dec 16 10:56:44 UTC 2023
Record UNII
81DVJ4GWP5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,5'-BIS(2-(4-(BENZO(D)ISOTHIAZOL-3-YL)PIPERAZIN-1-YL)ETHYL)-6,6'-DICHLORO-3-HYDROXY-(3,3'-BIINDOLINE)-2,2'-DIONE
Common Name English
(3,3'-BI-2H-INDOLE)-2,2'-DIONE, 5,5'-BIS(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6,6'-DICHLORO-1,1',3,3'-TETRAHYDRO-3-HYDROXY-
Systematic Name English
ZIPRASIDONE RELATED COMPOUND C [USP IMPURITY]
Common Name English
ZIPRASIDONE RELATED COMPOUND C [USP-RS]
Common Name English
5,5'-BIS(2-(4-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZIN-1-YL)ETHYL)-6,6'-DICHLORO-3-HYDROXY-1,1',3,3'-TETRAHYDRO-2H,2'H-3,3'-BIINDOLE-2,2'-DIONE
Systematic Name English
ZIPRASIDONE RELATED COMPOUND C
USP-RS  
Common Name English
ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1724441
Created by admin on Sat Dec 16 10:56:44 UTC 2023 , Edited by admin on Sat Dec 16 10:56:44 UTC 2023
PRIMARY
FDA UNII
81DVJ4GWP5
Created by admin on Sat Dec 16 10:56:44 UTC 2023 , Edited by admin on Sat Dec 16 10:56:44 UTC 2023
PRIMARY
PUBCHEM
72942012
Created by admin on Sat Dec 16 10:56:44 UTC 2023 , Edited by admin on Sat Dec 16 10:56:44 UTC 2023
PRIMARY
CAS
1303996-68-0
Created by admin on Sat Dec 16 10:56:44 UTC 2023 , Edited by admin on Sat Dec 16 10:56:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP