Tocopherol nicotinate

CAS Registry Number®

43119-47-7

CAS Name

Tocopherol nicotinate

Molecular Formula

C35H53NO3

Molecular Mass

535.80

Cite this Page

Tocopherol nicotinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16676-75-8 (retrieved 2024-11-24) (CAS RN: 43119-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1

InChIKey

InChIKey=MSCCTZZBYHQMQJ-AZAGJHQNSA-N

SMILES

CC1=C2C(=C(C)C(OC(=O)C=3C=CC=NC3)=C1C)CC[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O2

Canonical SMILES

O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=3C=NC=CC3

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester
  • 3-Pyridinecarboxylic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, [2R-[2R*(4R*,8R*)]]-
  • α-Tocopheryl nicotinate
  • Tocopheryl nicotinate
  • α-Tocopherol nicotinate

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Deleted or Replaced CAS Registry Numbers

916-58-5, 2577-08-4, 12624-37-2, 16676-75-8

CAS INSIGHTSTM
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