Compound: inositol hexanicotinate
SMILES: O=C(O[C@H]1[C@H](OC(=O)c2cnccc2)[C@H](OC(=O)c3cnccc3)[C@H](OC(=O)c4cnccc4)[C@H]([C@@H]1OC(=O)c5cnccc5)OC(=O)c6cnccc6)c7cnccc7
InChIKey: MFZCIDXOLLEMOO-GYSGTQPESA-N
Synonyms: inositol hexanicotinate, RefChem:1087388, Inositol nicotinate, Inositol niacinate, 6556-11-2, myo-Inositol hexanicotinate, Dilexpal, Hexanicotol, Mesotal, Hexanicit, Esantene, Dilcit, Mesonex, Hexanicotinoyl inositol, Hexopal, Linodil, Palohex, myo-Inositol, hexa-3-pyridinecarboxylate, Nicotinato de inositol, Win 9154, Hamovannad, Hamovannid, Inositol niacinate [USAN], NSC-49506, cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate, Nicotinate d'inositol, C42H30N6O12, Inositol nicotinate [INN], [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate, A99MK953KZ, 1,2,3,5/4,6 Cyclohexanehexol hexanicotinate, NSC49506, WIN-9154, MFCD00006387, Inositol nicotinate (INN), Inositol niacinate (USAN), Inositoli nicotinas, Inositol hexanicotinate (JAN), INOSITOL HEXANICOTINATE [JAN], (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate, rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate, cyclohexane-1,2,3,4,5,6-hexayl hexapyridine-3-carboxylate, Inositolo nicotinato [DCIT], Inositoli nicotinas [INN-Latin], Nicotinic acid, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol, Inositolo nicotinato, EINECS 229-485-9, Nicotinate d'inositol [INN-French], Palohex (TN), INOSITOL, HEXANICOTINATE, myo-, NSC 49506, Nicotinato de inositol [INN-Spanish], inositol-hexanicotinate, myo-Inosithexanicotinat, BRN 0077649, mesoinositol hexanicotinate, 1,2,3,54,6 Cyclohexanehexol hexanicotinate, UNII-A99MK953KZ, SCHEMBL122590, SCHEMBL122591, Inositol nicotinate (Standard), orb1302800, INOSITOL NIACINATE [MI], CHEMBL1094982, DTXSID2023147, SCHEMBL13557040, SCHEMBL29499769, CHEBI:31699, CHEBI:33064, DTXSID10859980, MFZCIDXOLLEMOO-UHFFFAOYSA-N, INOSITOL NICOTINATE [MART.], NSC81283, EBC-27479, INOSITOL NICOTINATE [WHO-DD], NSC-81283, s4987, AKOS015951374, AKOS015960653, AC-8131, DB08949, HY-122365R, MI33322, NCGC00532507-01, 497820-05-0, AS-13351, HY-122365, CS-0084450, NS00003184, NS00082344, D01813, D70660, SBI-0654079.0001, 5-22-02-00067 (Beilstein Handbook Reference), EN300-19997221, SR-01000883744, Q6036641, SR-01000883744-1, BRD-K00566342-001-01-0, BRD-K82800842-001-01-9, 2,3,4,5,6-Pentakis((3-pyridinylcarbonyl)oxy)cyclohexyl nicotinate, 3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester, (1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate, rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexaylhexanicotinate, (1R,2S,3r,4R,5S,6s)-Cyclohexane-1,2,3,4,5,6-hexayl hexapyridine-3-carboxylate, Nicotinic acid, ester, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol, (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl pyridine-3-carboxylate
Theoretical properties:
molecular_formula: C42H30N6O12
molecular_weight: 810.7 g/mol
exact_mass: 810.19217041 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 18
rotatable_bond_count: 18
heavy_atom_count: 60
topological_polar_surface_area: 235 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Inositol hexanicotinate is an inositol nicotinate. It is functionally related to a nicotinic acid.
chembl: INOSITOL NIACINATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Inositol nicotinate, also known as inositol hexanicotinate or inositol hexaniacinate, is a compound of niacin (vitamin B3) and inositol. It is marketed in the United States as a "no-flush" form of niacin in dietary supplements.