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Details

Stereochemistry ACHIRAL
Molecular Formula C30H24N4S2
Molecular Weight 504.668
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BIS(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZINE

SMILES

C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C24)C5=NC6=C(SC7=C5C=CC=C7)C=CC=C6

InChI

InChIKey=MFQIBYYFBRAARW-UHFFFAOYSA-N
InChI=1S/C30H24N4S2/c1-5-13-25-21(9-1)29(31-23-11-3-7-15-27(23)35-25)33-17-19-34(20-18-33)30-22-10-2-6-14-26(22)36-28-16-8-4-12-24(28)32-30/h1-16H,17-20H2

HIDE SMILES / InChI

Molecular Formula C30H24N4S2
Molecular Weight 504.668
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 Dec 16 11:24:08 UTC 2023
Edited
by admin
on Sat Dec 16 11:24:08 UTC 2023
Record UNII
TOS2P01TZT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-BIS(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZINE
Systematic Name English
BIS(DIBENZOTHIAZEPINYL) PIPERAZINE
Common Name English
QUETIAPINE FUMARATE IMPURITY D [EP IMPURITY]
Common Name English
BIS(DIBENZOTHIAZEPINYL) PIPERAZINE [USP IMPURITY]
Common Name English
DIBENZO(B,F)(1,4)THIAZEPINE, 11,11'-(1,4-PIPERAZINEDIYL)BIS-
Systematic Name English
11,11-(PIPERAZINE-1,4-DIYL)BIS(DIBENZO(B,F)(1,4)THIAZEPINE)
Systematic Name English
Code System Code Type Description
CAS
945668-94-0
Created by admin on Sat Dec 16 11:24:08 UTC 2023 , Edited by admin on Sat Dec 16 11:24:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID60647132
Created by admin on Sat Dec 16 11:24:08 UTC 2023 , Edited by admin on Sat Dec 16 11:24:08 UTC 2023
PRIMARY
PUBCHEM
24740561
Created by admin on Sat Dec 16 11:24:08 UTC 2023 , Edited by admin on Sat Dec 16 11:24:08 UTC 2023
PRIMARY
FDA UNII
TOS2P01TZT
Created by admin on Sat Dec 16 11:24:08 UTC 2023 , Edited by admin on Sat Dec 16 11:24:08 UTC 2023
PRIMARY
RS_ITEM_NUM
1A00150
Created by admin on Sat Dec 16 11:24:08 UTC 2023 , Edited by admin on Sat Dec 16 11:24:08 UTC 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
EP