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Details

Stereochemistry ACHIRAL
Molecular Formula C9H20NO2.Cl
Molecular Weight 209.714
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyrylcholine chloride

SMILES

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

InChI

InChIKey=VCOBYGVZILHVOO-UHFFFAOYSA-M
InChI=1S/C9H20NO2.ClH/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 ClH
Molecular Weight 36.461
Charge 0
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 RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:50:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:50:41 GMT 2025
Record UNII
HA8BW33DQF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-70378
Preferred Name English
Butyrylcholine chloride
Common Name English
2-Butyryloxyethyltrimethylammonium chloride
Systematic Name English
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, chloride
Common Name English
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, chloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40952094
Created by admin on Tue Apr 01 19:50:41 GMT 2025 , Edited by admin on Tue Apr 01 19:50:41 GMT 2025
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NSC
70378
Created by admin on Tue Apr 01 19:50:41 GMT 2025 , Edited by admin on Tue Apr 01 19:50:41 GMT 2025
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CAS
2963-78-2
Created by admin on Tue Apr 01 19:50:41 GMT 2025 , Edited by admin on Tue Apr 01 19:50:41 GMT 2025
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FDA UNII
HA8BW33DQF
Created by admin on Tue Apr 01 19:50:41 GMT 2025 , Edited by admin on Tue Apr 01 19:50:41 GMT 2025
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ECHA (EC/EINECS)
220-999-9
Created by admin on Tue Apr 01 19:50:41 GMT 2025 , Edited by admin on Tue Apr 01 19:50:41 GMT 2025
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PUBCHEM
76297
Created by admin on Tue Apr 01 19:50:41 GMT 2025 , Edited by admin on Tue Apr 01 19:50:41 GMT 2025
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Related Record Type Details
PARENT -> SALT/SOLVATE