U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C21H26N2O2S2
Molecular Weight 402.573
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIORIDAZINE DISULFOXIDE

SMILES

CN1CCCCC1CCN2C3=C(C=CC=C3)[S+]([O-])C4=C2C=C(C=C4)[S+](C)[O-]

InChI

InChIKey=DWOCAVXFXSJKQE-UHFFFAOYSA-N
InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)27(25)21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H26N2O2S2
Molecular Weight 402.573
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 Thu Jul 06 15:39:48 UTC 2023
Edited
by admin
on Thu Jul 06 15:39:48 UTC 2023
Record UNII
DB94QP0ZHW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIORIDAZINE DISULFOXIDE
Common Name English
10H-PHENOTHIAZINE, 10-(2-(1-METHYL-2-PIPERIDINYL)ETHYL)-2-(METHYLSULFINYL)-, 5-OXIDE
Systematic Name English
THIORIDAZINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
10-(2-((2RS)-1-METHYLPIPERIDIN-2-YL)ETHYL)-2-(METHYLSULFINYL)-10H-PHENOTHIAZINE 5-OXIDE
Systematic Name English
THIORIDAZINE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
DB94QP0ZHW
Created by admin on Thu Jul 06 15:39:49 UTC 2023 , Edited by admin on Thu Jul 06 15:39:49 UTC 2023
PRIMARY
PUBCHEM
567069
Created by admin on Thu Jul 06 15:39:49 UTC 2023 , Edited by admin on Thu Jul 06 15:39:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID201023873
Created by admin on Thu Jul 06 15:39:49 UTC 2023 , Edited by admin on Thu Jul 06 15:39:49 UTC 2023
PRIMARY
CAS
53926-89-9
Created by admin on Thu Jul 06 15:39:49 UTC 2023 , Edited by admin on Thu Jul 06 15:39:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 1.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 1.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP