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Details

Stereochemistry ACHIRAL
Molecular Formula C21H37ClN.C7H7O3S
Molecular Weight 510.172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOFILIUM TOSYLATE

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCC[N+](CC)(CC)CCCCC2=CC=C(Cl)C=C2

InChI

InChIKey=MOQZYUUHIWPDQC-UHFFFAOYSA-M
InChI=1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
CLOFILIUM TOSYLATE
Common Name English
BENZENEBUTANAMINIUM, 4-CHLORO-N,N-DIETHYL-N-HEPTYL-, TOSYLATE
Systematic Name English
CLOFILIUM TOSILATE
Common Name English
BENZENEBUTANAMINIUM, 4-CHLORO-N,N-DIETHYL-N-HEPTYL-, TOSILATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 15:19:23 UTC 2023 , Edited by admin on Fri Dec 15 15:19:23 UTC 2023
Code System Code Type Description
PUBCHEM
175533
Created by admin on Fri Dec 15 15:19:23 UTC 2023 , Edited by admin on Fri Dec 15 15:19:23 UTC 2023
PRIMARY
CAS
92953-10-1
Created by admin on Fri Dec 15 15:19:23 UTC 2023 , Edited by admin on Fri Dec 15 15:19:23 UTC 2023
PRIMARY
NCI_THESAURUS
C83632
Created by admin on Fri Dec 15 15:19:23 UTC 2023 , Edited by admin on Fri Dec 15 15:19:23 UTC 2023
PRIMARY
FDA UNII
13ZVF1051K
Created by admin on Fri Dec 15 15:19:23 UTC 2023 , Edited by admin on Fri Dec 15 15:19:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID7045601
Created by admin on Fri Dec 15 15:19:23 UTC 2023 , Edited by admin on Fri Dec 15 15:19:23 UTC 2023
PRIMARY