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Details

Stereochemistry ACHIRAL
Molecular Formula C5H13NO4S
Molecular Weight 183.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE O-SULFATE

SMILES

C[N+](C)(C)CCOS([O-])(=O)=O

InChI

InChIKey=WXCQAWGXWVRCGP-UHFFFAOYSA-N
InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C5H13NO4S
Molecular Weight 183.226
Charge 0
Count
Stereochemistry RACEMIC
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 10:00:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:39 GMT 2023
Record UNII
9Q5XI11K27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE O-SULFATE
Systematic Name English
NSC-46242
Code English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-(SULFOOXY)-, INNER SALT
Systematic Name English
CHOLINE SULFATE
Systematic Name English
Code System Code Type Description
PUBCHEM
485
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
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CHEBI
52859
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
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NSC
46242
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY
CAS
4858-96-2
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
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FDA UNII
9Q5XI11K27
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY
CHEBI
16822
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID70274271
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY