Nicomol

CAS Registry Number®

27959-26-8
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CAS Name

Nicomol

Molecular Formula

C34H32N4O9

Molecular Mass

640.64

Cite this Page

Nicomol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27959-26-8 (retrieved 2024-05-19) (CAS RN: 27959-26-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2

InChIKey

InChIKey=VRAHPESAMYMDQI-UHFFFAOYSA-N

SMILES

C(OC(=O)C=1C=CC=NC1)C2(COC(=O)C=3C=CC=NC3)C(O)C(COC(=O)C=4C=CC=NC4)(COC(=O)C=5C=CC=NC5)CCC2

Canonical SMILES

O=C(OCC1(COC(=O)C=2C=NC=CC2)CCCC(COC(=O)C=3C=NC=CC3)(COC(=O)C=4C=NC=CC4)C1O)C=5C=NC=CC5

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 1,1′,1′′,1′′′-[(2-hydroxy-1,3-cyclohexanediylidene)tetrakis(methylene)] ester
  • Nicotinic acid, 1,1,3,3-tetraester with 2-hydroxy-1,1,3,3-cyclohexanetetramethanol
  • 3-Pyridinecarboxylic acid, (2-hydroxy-1,3-cyclohexanediylidene)tetrakis(methylene) ester
  • 1,1,3,3-Cyclohexanetetramethanol, 2-hydroxy-, 1,1,3,3-tetranicotinate
  • K 31 (pharmaceutical)

View All

Deleted or Replaced CAS Registry Numbers

5949-37-1, 79000-66-1, 82775-63-1

CAS INSIGHTSTM
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