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Details

Stereochemistry ACHIRAL
Molecular Formula C9H20NO2.I
Molecular Weight 301.1651
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyrylcholine iodide

SMILES

[I-].CCCC(=O)OCC[N+](C)(C)C

InChI

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

HIDE SMILES / InChI

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

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:50:39 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:39 GMT 2025
Record UNII
KX2MFG93T5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyrylcholine iodide
Common Name English
NSC-97539
Preferred Name English
Butyrocholine iodide
Common Name English
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide
Common Name English
2-Butyryloxyethyltrimethylammonium iodide
Systematic Name English
Ammonium, (2-butyryloxyethyl)trimethyl-, iodide
Systematic Name English
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, iodide (1:1)
Systematic Name English
Code System Code Type Description
NSC
97539
Created by admin on Tue Apr 01 19:50:39 GMT 2025 , Edited by admin on Tue Apr 01 19:50:39 GMT 2025
PRIMARY
CAS
2494-56-6
Created by admin on Tue Apr 01 19:50:39 GMT 2025 , Edited by admin on Tue Apr 01 19:50:39 GMT 2025
PRIMARY
FDA UNII
KX2MFG93T5
Created by admin on Tue Apr 01 19:50:39 GMT 2025 , Edited by admin on Tue Apr 01 19:50:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
219-666-0
Created by admin on Tue Apr 01 19:50:39 GMT 2025 , Edited by admin on Tue Apr 01 19:50:39 GMT 2025
PRIMARY
PUBCHEM
17232
Created by admin on Tue Apr 01 19:50:39 GMT 2025 , Edited by admin on Tue Apr 01 19:50:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID60883856
Created by admin on Tue Apr 01 19:50:39 GMT 2025 , Edited by admin on Tue Apr 01 19:50:39 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE