Basic information
- CAS
24381-49-5- Standard SMILES
C[N+](C)(C)CCO.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1- InChIKey
IMAGLCGCHKGGLR-UHFFFAOYSA-M- Molecular formula
- C10H17N3O5
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.11682065
Overview
Choline orotate is a pyrimidinecarboxylic acid.
Names & identifiers
- Preferred name
- Choline orotate
- IUPAC
- 2,4-dioxo-1H-pyrimidine-6-carboxylate;2-hydroxyethyl(trimethyl)azanium
- English name
- choline 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
- Molecular formula
- C10H17N3O5
- Molecular weight
- 259.25908
Names & synonyms
Choline orotate24381-49-5CholergolOrotic acid choline saltRufai B 13Choline, orotate (salt)7TA4XO49BNHepato-Fardi (TN)EINECS 246-213-4UNII-7TA4XO49BNCHOLINE OROTATE [WHO-DD]CHOLINE OROTATE MONOHYDRATE
Show more names
Choline salt2-Hydroxyethyl-trimethylammonium uracyl-4-carboxylate2-Hydroxy-N,N,N-trimethylethanaminium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
OROTIC ACID CHOLINE SALT [MI]Ehanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid, hydrate (1:1:1)ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-4-PYRIMIDINECARBOXYLATE (1:1)Hepato-FardiRefChem:125758Choline, orotate (salt) (8CI)246-213-4Choline 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
Database identifiers
- CAS
24381-49-5- PubChem CID
- 90484
- DTXSID
DTXSID40947243- ChEBI
CHEBI:191245
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- LogP
- -0.928 · -0.928 (est)
- FDA UNII
- 7 TA4XO49BN · 7TA4XO49BN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 oral · LD50 oral in mouse: > 2gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Toxicity
- LD50 oral in mouse: > 2gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesHas been proposed as feed supplement in combination with methionine to aid growth of calves.
Suppliers5 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Additional notes
DefinitionChEBI: Choline orotate is a pyrimidinecarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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