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Substance Name: myo-Inositol, penta-3-pyridinecarboxylate
RN: 21214-49-3
InChIKey: BIMKYWNFAXOBEQ-UHFFFAOYSA-N

Molecular Formula

  • C36-H27-N5-O11

Molecular Weight

  • 705.6333
 
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Names and Synonyms

Synonym

  • Mesoinositol pentanicotinate

Systematic Name

  • myo-Inositol, penta-3-pyridinecarboxylate

Registry Numbers

CAS Registry Number

  • 21214-49-3

System Generated Number

  • 0021214493

Structure Descriptors

InChI

1S/C36H27N5O11/c42-26-27(48-32(43)21-6-1-11-37-16-21)29(50-34(45)23-8-3-13-39-18-23)31(52-36(47)25-10-5-15-41-20-25)30(51-35(46)24-9-4-14-40-19-24)28(26)49-33(44)22-7-2-12-38-17-22/h1-20,26-31,42H

InChIKey

BIMKYWNFAXOBEQ-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)OC2C(C(C(C(C2OC(=O)c3cccnc3)OC(=O)c4cccnc4)OC(=O)c5cccnc5)OC(=O)c6cccnc6)O