Basic information
- CAS
4858-96-2- Standard SMILES
C[N+](C)(C)CCOS(=O)(=O)[O-]- InChIKey
WXCQAWGXWVRCGP-UHFFFAOYSA-N- Molecular formula
- C5H13NO4S
- Average molar mass
- 183.23 g/mol
- Monoisotopic mass
- 183.05652907
Overview
Choline sulfate is an ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. It is a member of choline sulfates and an ammonium betaine. It is a conjugate base of a choline hydrogen sulfate.
Names & identifiers
- Preferred name
- Choline O-Sulfate
- IUPAC
- 2-(trimethylazaniumyl)ethyl sulfate
- English name
- Choline sulphate
- Molecular formula
- C5H13NO4S
- Molecular weight
- 183.22
Names & synonyms
choline sulfate4858-96-2Choline O-sulfate2-(trimethylammonio)ethyl sulfateNSC-462429Q5XI11K27CHEBI:16822DTXSID70274271Ethanaminium, N,N,N-trimethyl-2-(sulfooxy)-, inner saltRefChem:125759DTXCID002257512-(trimethylazaniumyl)ethyl sulfate
Show more names
CHOLINE O-SULFATE D13Sulfate(inner salt)-Choline
choline sulfate betainecholine sulphateCholine-O-sulfatecholine O-sulphateCholinesulfuric acid.Choline O-sulfate -SCHEMBL339063UNII-9Q5XI11K27
Database identifiers
- CAS
4858-96-2- PubChem CID
- 485
- DTXSID
DTXSID70274271- ChEBI
CHEBI:16822- UNII
- 9Q5XI11K27
- Nikkaji
- J814.134G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- FDA UNII
- 9 Q5XI11K27 · 9Q5XI11K27
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues.
Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
Suppliers8 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
DefinitionChEBI: Choline sulfate is an ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. It is an ammonium betaine and a member of choline sulfates. It is a conjugate base of a choline hydrogen sulfate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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