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Details

Stereochemistry ACHIRAL
Molecular Formula C9H20NOS
Molecular Weight 190.326
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Butyrylthiocholine

SMILES

CCCC(=O)SCC[N+](C)(C)C

InChI

InChIKey=AWBGQVBMGBZGLS-UHFFFAOYSA-N
InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C9H20NOS
Molecular Weight 190.326
Charge 1
Count
Stereochemistry RACEMIC
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 08:37:57 GMT 2025
Edited
by admin
on Wed Apr 02 08:37:57 GMT 2025
Record UNII
K8D83KI04M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyrylthiocholine
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((1-OXOBUTYL)THIO)-
Preferred Name English
N,N,N-TRIMETHYL-2-((1-OXOBUTYL)THIO)ETHANAMINIUM
Systematic Name English
Code System Code Type Description
CHEBI
41055
Created by admin on Wed Apr 02 08:37:57 GMT 2025 , Edited by admin on Wed Apr 02 08:37:57 GMT 2025
PRIMARY
CAS
4555-00-4
Created by admin on Wed Apr 02 08:37:57 GMT 2025 , Edited by admin on Wed Apr 02 08:37:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID00196553
Created by admin on Wed Apr 02 08:37:57 GMT 2025 , Edited by admin on Wed Apr 02 08:37:57 GMT 2025
PRIMARY
FDA UNII
K8D83KI04M
Created by admin on Wed Apr 02 08:37:57 GMT 2025 , Edited by admin on Wed Apr 02 08:37:57 GMT 2025
PRIMARY
DRUG BANK
DB04250
Created by admin on Wed Apr 02 08:37:57 GMT 2025 , Edited by admin on Wed Apr 02 08:37:57 GMT 2025
PRIMARY
PUBCHEM
20689
Created by admin on Wed Apr 02 08:37:57 GMT 2025 , Edited by admin on Wed Apr 02 08:37:57 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT