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Details

Stereochemistry ACHIRAL
Molecular Formula C9H20NO2.C7H7O3S
Molecular Weight 345.454
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyrylcholine tosylate

SMILES

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

InChI

InChIKey=DZSWXVDFVYXLHS-UHFFFAOYSA-M
InChI=1S/C9H20NO2.C7H8O3S/c1-5-6-9(11)12-8-7-10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C7H7O3S
Molecular Weight 171.194
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H20NO2
Molecular Weight 174.2606
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:09:26 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:26 GMT 2025
Record UNII
JA24SDC39S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyrylcholine tosylate
Common Name English
NSC-83579
Preferred Name English
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, 4-methylbenzenesulfonate
Common Name English
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, 4-methylbenzenesulfonate (1:1)
Systematic Name English
Butyric acid, ester with choline p-toluenesulfonate
Systematic Name English
Code System Code Type Description
PUBCHEM
24189112
Created by admin on Wed Apr 02 17:09:26 GMT 2025 , Edited by admin on Wed Apr 02 17:09:26 GMT 2025
PRIMARY
FDA UNII
JA24SDC39S
Created by admin on Wed Apr 02 17:09:26 GMT 2025 , Edited by admin on Wed Apr 02 17:09:26 GMT 2025
PRIMARY
CAS
1866-14-4
Created by admin on Wed Apr 02 17:09:26 GMT 2025 , Edited by admin on Wed Apr 02 17:09:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID90637546
Created by admin on Wed Apr 02 17:09:26 GMT 2025 , Edited by admin on Wed Apr 02 17:09:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE