Niceritrol

CAS Registry Number®

5868-05-3

CAS Name

Niceritrol

Molecular Formula

C29H24N4O8

Molecular Mass

556.52

Cite this Page

Niceritrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5868-05-3 (retrieved 2024-11-21) (CAS RN: 5868-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2

InChIKey

InChIKey=KUEUWHJGRZKESU-UHFFFAOYSA-N

SMILES

C(COC(=O)C=1C=CC=NC1)(COC(=O)C=2C=CC=NC2)(COC(=O)C=3C=CC=NC3)COC(=O)C=4C=CC=NC4

Canonical SMILES

O=C(OCC(COC(=O)C=1C=NC=CC1)(COC(=O)C=2C=NC=CC2)COC(=O)C=3C=NC=CC3)C=4C=NC=CC4

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 3,3′-[2,2-bis[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl] ester
  • Nicotinic acid, neopentanetetrayl ester
  • 3-Pyridinecarboxylic acid, 2,2-bis[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl ester
  • Pentaerythritol, tetranicotinate
  • Perycit

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration