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Details

Stereochemistry ACHIRAL
Molecular Formula C22H34N2S2.2C7H7O3S
Molecular Weight 733.036
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UTH-31

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC2=CC=C(C=C2)S([O-])(=O)=O.C[N+]3=CC=C(SCCCCCCCCCCSC4=CC=[N+](C)C=C4)C=C3

InChI

InChIKey=AGBJFCBDVUIKHK-UHFFFAOYSA-L
InChI=1S/C22H34N2S2.2C7H8O3S/c1-23-15-11-21(12-16-23)25-19-9-7-5-3-4-6-8-10-20-26-22-13-17-24(2)18-14-22;2*1-6-2-4-7(5-3-6)11(8,9)10/h11-18H,3-10,19-20H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
UTH-31
Code English
PYRIDINIUM, 4,4'-(1,10-DECANEDIYLBIS(THIO))BIS(1-METHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:2)
Systematic Name English
4,4'-(DECAMETHYLENEDITHIO)BIS(1-METHYLPYRIDINIUM) DITOSYLATE
Systematic Name English
BRINTOBAL
Brand Name English
1,10-BIS(N-METHYLPYRIDINIUM)-4-THIO-N-DECANE DI(P-TOLUENESULFONATE)
Systematic Name English
4,4'-(DECAMETHYLENEDITHIO)BIS(1-METHYLPYRIDINIUM P-TOLUENESULFONATE)
Systematic Name English
BA-9-UTH-31
Code English
4,4'-(Decamethylenedithio)bis(1-methylpyridinium) ditosylate [WHO-DD]
Common Name English
PYRIDINIUM, 4,4'-(DECAMETHYLENEDITHIO)BIS(1-METHYL-, DI-P-TOLUENESULFONATE
Systematic Name English
1,10-BIS(N-METHYLPYRIDINIUM-4-THIO)N-DECANE DITOSYLATE
Common Name English
Code System Code Type Description
SMS_ID
100000174220
Created by admin on Fri Dec 15 15:04:08 GMT 2023 , Edited by admin on Fri Dec 15 15:04:08 GMT 2023
PRIMARY
PUBCHEM
76969258
Created by admin on Fri Dec 15 15:04:08 GMT 2023 , Edited by admin on Fri Dec 15 15:04:08 GMT 2023
PRIMARY
CAS
3785-02-2
Created by admin on Fri Dec 15 15:04:08 GMT 2023 , Edited by admin on Fri Dec 15 15:04:08 GMT 2023
PRIMARY
FDA UNII
4X595G3NH7
Created by admin on Fri Dec 15 15:04:08 GMT 2023 , Edited by admin on Fri Dec 15 15:04:08 GMT 2023
PRIMARY