CAS Registry Number®
6556-11-2
CAS Name
Inositol nicotinate
Molecular Formula
C42H30N6O12
Molecular Mass
810.72
Compound Properties
-
Melting Point (1)
254.6 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-
InChIKey
InChIKey=MFZCIDXOLLEMOO-GYSGTQPENA-N
SMILES
O(C(=O)C=1C=CC=NC1)[C@@H]2[C@@H](OC(=O)C=3C=CC=NC3)[C@@H](OC(=O)C=4C=CC=NC4)[C@@H](OC(=O)C=5C=CC=NC5)[C@H](OC(=O)C=6C=CC=NC6)[C@H]2OC(=O)C=7C=CC=NC7
Canonical SMILES
O=C(OC1C(OC(=O)C=2C=NC=CC2)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C=4C=NC=CC4)C(OC(=O)C=5C=NC=CC5)C1OC(=O)C=6C=NC=CC6)C=7C=NC=CC7
Other Names for this Substance
- myo-Inositol, hexa-3-pyridinecarboxylate
- Inositol, hexanicotinate, myo–
- Nicotinic acid, hexaester with myo-inositol
- Esantene
- Hexanicit
- Hexanicotinoyl inositol
- Hexanicotol
- Hexopal
- Inositol niacinate
- Linodil
- Inositol nicotinate
- myo-Inositol hexanicotinate
- meso-Inositol hexanicotinate
- Dilcit
- Dilexpal
- Mesotal
- Mesonex
- Palohex
- Inositol hexanicotinate
- 3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester
- Inositol hexaniacinate
- Hamovannid
- Meso-inositol hexanicotinate
Deleted or Replaced CAS Registry Numbers
2090-94-0, 14154-33-7
