Sorbinicate

CAS Registry Number®

6184-06-1

CAS Name

Sorbinicate

Molecular Formula

C42H32N6O12

Molecular Mass

812.74

Cite this Page

Sorbinicate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6184-06-1 (retrieved 2024-11-23) (CAS RN: 6184-06-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2/t33-,34+,35-,36-/m1/s1

InChIKey

InChIKey=IMRLNFKFNFLWQF-IYKITFJXSA-N

SMILES

[C@H]([C@@H]([C@H](OC(=O)C=1C=CC=NC1)COC(=O)C=2C=CC=NC2)OC(=O)C=3C=CC=NC3)([C@@H](OC(=O)C=4C=CC=NC4)COC(=O)C=5C=CC=NC5)OC(=O)C=6C=CC=NC6

Canonical SMILES

O=C(OCC(OC(=O)C=1C=NC=CC1)C(OC(=O)C=2C=NC=CC2)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C=4C=NC=CC4)COC(=O)C=5C=NC=CC5)C=6C=NC=CC6

Other Names for this Substance

  • D-Glucitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate
  • Glucitol, hexanicotinate, D-
  • D-Glucitol, hexa-3-pyridinecarboxylate
  • Glucitol, hexanicotinate
  • Nicotinic acid, hexaester with D-glucitol

View All

Deleted or Replaced CAS Registry Numbers

15475-11-3

CAS INSIGHTSTM
Hourglass and a clock