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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H29N3O2S2.2C2H2O4
Molecular Weight 623.695
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THIOTHIXENE DIOXALATE

SMILES

OC(=O)C(O)=O.OC(=O)C(O)=O.CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN4CCN(C)CC4)C=C1

InChI

InChIKey=YQOSZOPIQWHNDH-INHJUQNSSA-N
InChI=1S/C23H29N3O2S2.2C2H2O4/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;2*3-1(4)2(5)6/h4-5,7-11,17H,6,12-16H2,1-3H3;2*(H,3,4)(H,5,6)/b19-8-;;

HIDE SMILES / InChI

Approval Year

Name Type Language
THIOTHIXENE DIOXALATE
MI  
Common Name English
THIOTHIXENE DIOXALATE [MI]
Common Name English
N,N-DIMETHYL-9-(3-(4-METHYL-1-PIPERAZINYL)PROPYLIDENE)-9H-THIOXANTHENE-2-SULFONAMIDE, DIOXALATE
Systematic Name English
9H-THIOXANTHENE-2-SULFONAMIDE, N,N-DIMETHYL-9-(3-(4-METHYL-1-PIPERAZINYL)PROPYLIDENE)-, ETHANEDIOATE (1:2)
Systematic Name English
Code System Code Type Description
MERCK INDEX
m10789
Created by admin on Sat Dec 16 08:59:20 UTC 2023 , Edited by admin on Sat Dec 16 08:59:20 UTC 2023
PRIMARY Merck Index
PUBCHEM
90479405
Created by admin on Sat Dec 16 08:59:20 UTC 2023 , Edited by admin on Sat Dec 16 08:59:20 UTC 2023
PRIMARY
FDA UNII
1J9VRR14LW
Created by admin on Sat Dec 16 08:59:20 UTC 2023 , Edited by admin on Sat Dec 16 08:59:20 UTC 2023
PRIMARY
CAS
3285-54-9
Created by admin on Sat Dec 16 08:59:20 UTC 2023 , Edited by admin on Sat Dec 16 08:59:20 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY