Hepronicate

CAS Registry Number®

7237-81-2

CAS Name

Hepronicate

Molecular Formula

C28H31N3O6

Molecular Mass

505.56

Cite this Page

Hepronicate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7237-81-2 (retrieved 2024-11-29) (CAS RN: 7237-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-96 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3

InChIKey

InChIKey=GUIBJJJLGSYNKE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 1,1′-[2-hexyl-2-[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl] ester
  • Nicotinic acid, triester with 2-hexyl-2-(hydroxymethyl)-1,3-propanediol
  • 3-Pyridinecarboxylic acid, 2-hexyl-2-[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl ester
  • 1,3-Propanediol, 2-hexyl-2-(hydroxymethyl)-, trinicotinate
  • Hepronicate

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