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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16NOS.I
Molecular Weight 289.178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYLTHIOCHOLINE IODIDE

SMILES

[I-].CC(=O)SCC[N+](C)(C)C

InChI

InChIKey=NTBLZMAMTZXLBP-UHFFFAOYSA-M
InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C7H16NOS
Molecular Weight 162.273
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
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 Sat Dec 16 12:37:38 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:38 GMT 2023
Record UNII
6SKH6P4YRN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYLTHIOCHOLINE IODIDE
Systematic Name English
(2-Mercaptoethyl)trimethylammonium iodide, acetate
Systematic Name English
Acetic acid, thio-, S-ester with (2-mercaptoethyl)trimethylammonium iodide
Common Name English
NSC-44139
Code English
Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)
Systematic Name English
S-Acetylthiocholine iodide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
217-474-1
Created by admin on Sat Dec 16 12:37:38 GMT 2023 , Edited by admin on Sat Dec 16 12:37:38 GMT 2023
PRIMARY
NSC
44139
Created by admin on Sat Dec 16 12:37:38 GMT 2023 , Edited by admin on Sat Dec 16 12:37:38 GMT 2023
PRIMARY
PUBCHEM
74629
Created by admin on Sat Dec 16 12:37:38 GMT 2023 , Edited by admin on Sat Dec 16 12:37:38 GMT 2023
PRIMARY
FDA UNII
6SKH6P4YRN
Created by admin on Sat Dec 16 12:37:38 GMT 2023 , Edited by admin on Sat Dec 16 12:37:38 GMT 2023
PRIMARY
CAS
1866-15-5
Created by admin on Sat Dec 16 12:37:38 GMT 2023 , Edited by admin on Sat Dec 16 12:37:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID50883764
Created by admin on Sat Dec 16 12:37:38 GMT 2023 , Edited by admin on Sat Dec 16 12:37:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE