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Details

Stereochemistry ACHIRAL
Molecular Formula C10H22Cl2NO2.C7H7O3S
Molecular Weight 430.387
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(3-CHLORO-2-HYDROXYPROPYL)DIETHYLAMMONIUM TOLUENE-P-SULPHONATE

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+](CC)(CC(O)CCl)CC(O)CCl

InChI

InChIKey=ASQPAZOHJBRJBC-UHFFFAOYSA-M
InChI=1S/C10H22Cl2NO2.C7H8O3S/c1-3-13(4-2,7-9(14)5-11)8-10(15)6-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-15H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
BIS(3-CHLORO-2-HYDROXYPROPYL)DIETHYLAMMONIUM TOLUENE-P-SULPHONATE
Common Name English
1-PROPANAMINIUM, 3-CHLORO-N-(3-CHLORO-2-HYDROXYPROPYL)-N,N-DIETHYL-2-HYDROXY-, 4-METHYLBENZENESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
85005-94-3
Created by admin on Sat Dec 16 18:25:21 GMT 2023 , Edited by admin on Sat Dec 16 18:25:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID101005331
Created by admin on Sat Dec 16 18:25:21 GMT 2023 , Edited by admin on Sat Dec 16 18:25:21 GMT 2023
PRIMARY
FDA UNII
NW6MVM33US
Created by admin on Sat Dec 16 18:25:21 GMT 2023 , Edited by admin on Sat Dec 16 18:25:21 GMT 2023
PRIMARY
PUBCHEM
44151769
Created by admin on Sat Dec 16 18:25:21 GMT 2023 , Edited by admin on Sat Dec 16 18:25:21 GMT 2023
PRIMARY