myo-inositol hexanicotinate
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-GYSGTQPEBK
SMILES:
O=C(O[C@@H]1[C@@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C3=CC=CN=C3)[C@@H](OC(=O)C4=CC=CN=C4)[C@H](OC(=O)C5=CC=CN=C5)[C@@H]1OC(=O)C6=CC=CN=C6)C7=CC=CN=C7
CAS number 6556-11-2
Names:
Inositol hexanicotinate
Inositol niacinate
myo-inositol hexanicotinate
Registries:
PubChem CID 3720
Beilstein =471092
Beilstein =77649
CAS 6556-11-2 (from NIST)
ChEBI 31699
Kegg C13283