Basic information
- CAS
5868-05-3- Standard SMILES
O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1- InChIKey
KUEUWHJGRZKESU-UHFFFAOYSA-N- Molecular formula
- C29H24N4O8
- Average molar mass
- 556.5 g/mol
- Monoisotopic mass
- 556.15941374
Overview
Niceritrol is an organic molecular entity.
Names & identifiers
- Preferred name
- Niceritrol
- IUPAC
- [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
- English name
- Pentaerythritoltetranicotinate
- Molecular formula
- C29H24N4O8
- Molecular weight
- 556.52
Names & synonyms
niceritrol5868-05-3PerycitPentaerythritoltetranicotinatePentaerythritol tetranicotinatePentaerithritol tetranicotinateDTXSID1023364NiceritrolumF54EHJ34MV3-Pyridinecarboxylic acid, 2,2-bis(((3-pyridinylcarbonyl)oxy)methyl)-1,3-propanediyl esterDTXCID303364niceritrolo
Show more names
BuforCardiolipolNiceritrol, 10 mM in DMSOtetrakis(nicotinoxyMethyl)MethaneTetrakis(nicotinic acid) methanetetrayltetra(methylene)2,2-bis((nicotinoyloxy)methyl)propane-1,3-diyl dinicotinatenicotin [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] ester3-Pyridinecarboxylic acid, 2,2-bis[[(3-pyridinylcarbonyl)oxy]Methyl]-1,3-propanediyl ester[3-pyridin-3-ylcarbonyloxy-2,2-bis(pyridin-3-ylcarbonyloxymethyl)propyl] pyridine-3-carboxylate
Tetrahydrochloride, NiceritrolTetranicotinate, PentaerythritolRefChem:389147C10AD01227-519-73-(pyridine-3-carbonyloxy)-2,2-bis((pyridine-3-carbonyloxy)methyl)propyl pyridine-3-carboxylateBufor;Perycit;8-AL[3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 745
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antilipidemics
Physicochemical properties
- Melting point
- 160 · reported as 160-162° and as 163-164°
- Boiling point
- 625.47 °C · 625.47°C (rough estimate)
- Density
- 1.368 · 1.3680 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 3.61 · 3.61±0.10(Predicted)
- Merck
- 14 · 14,6497
- FDA UNII
- 54 EHJ34MV · F54EHJ34MV
- RTECS
- 1980000 · QT1980000
- HS Code
- 2933.39 · 2933.39.4100
- Toxicity
- 50 in · LD50 in mice, rats (g/kg): >20, >20 orally; >5, >5 s.c.; >5, >5 i.p.; in rabbits (g/kg): >10 orally; >5 i.p. (Sugawara)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- QT1980000
- hs_code
- 2933.39.4100
- Toxicity
- LD50 in mice, rats (g/kg): >20, >20 orally; >5, >5 s.c.; >5, >5 i.p.; in rabbits (g/kg): >10 orally; >5 i.p. (Sugawara)
Chemistry & industry
Pharmacology
ATC CodeC - Cardiovascular system
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Applications
UsesNiceritrol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers32 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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