NSC49506

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Creator
US National Cancer Institute
Publication Date
2005-08-22
Alternative Title
Dilexpal
Hamovannad
Inositol niacinate
Inositol Niacinate (USAN)
Mesotal
Nicotinic acid, ester, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
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Citation
Unknown author (2005). NSC49506. [chemical structure]. http://www.dspace.cam.ac.uk/handle/1810/49329
Identifiers
NSC49506
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/49329
IUPAC Chemical Identifier (IChI): C42H30N6O12,49-31(25-7H-1H-13H-43-19H-25)55-37H-38H(56-32(50)26-8H-2H-14H-44-20H-26)40H(58-34(52)28-10H-4H-16H-46-22H-28)42H(60-36(54)30-12H-6H-18H-48-24H-30)41H(59-35(53)29-11H-5H-17H-47-23H-29)39H(37)57-33(51)27-9H-3H-15H-45-21H-27
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/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+
IUPAC/NIST Chemical Identifier Key (INChI): MFZCIDXOLLEMOO-OGWZCLPXSA-N