Basic information
- CAS
7237-81-2- Standard SMILES
CCCCCCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1- InChIKey
GUIBJJJLGSYNKE-UHFFFAOYSA-N- Molecular formula
- C28H31N3O6
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.22128572
Overview
Hepronicate is an organic molecular entity.
Names & identifiers
- Preferred name
- Hepronicate
- IUPAC
- 2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
- English name
- Hepronicate
- Molecular formula
- C28H31N3O6
- Molecular weight
- 505.56
Names & synonyms
hepronicateMegrin7237-81-2HepronicatoHepronicatumE4RK86FAVRDTXSID60222680RefChem:1086399DTXCID901451712,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate2-Hexyl-2-(hydroxymethyl)-1,3-propanediol trinicotinateHepronicat
Show more names
1,1,1-Heptanetriyltris(methanol)tris(nicotinate)1,1,1-Heptanetriyltris(methanol) tris(nicotinate)Bis(nicotinic acid)2-hexyl-2-(nicotinoyloxymethyl)-1,3-propanediyl ester3-Pyridinecarboxylic acid, 1,1'-[2-hexyl-2-[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl] ester
Hepronicate [INN:JAN]Hepronicatum [INN-Latin]Hepronicato [INN-Spanish]CLY 115UNII-E4RK86FAVRBRN 05043082-Hydroxymethyl-2-hexyl-1,3-propanediol trinicotinateMegrin (TN)
Database identifiers
- CAS
7237-81-2- PubChem CID
- 3588
- DTXSID
DTXSID60222680
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- Melting point
- 94 · 94-96°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- FDA UNII
- 4 RK86FAVR · E4RK86FAVR
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
United Life Science020-82099279 18988968278 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Hepronicate is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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