2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 4,6-dimethyl-2(1H)-pyrimidinone (1:1)

CAS Registry Number®

14451-99-1

CAS Name

2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 4,6-dimethyl-2(1H)-pyrimidinone (1:1)

Molecular Formula

C11H10O5S.C6H8N2O

Cite this Page

2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 4,6-dimethyl-2(1H)-pyrimidinone (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14451-99-1 (retrieved 2024-11-22) (CAS RN: 14451-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-217 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H10O5S.C6H8N2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;1-4-3-5(2)8-6(9)7-4/h2-5H,6H2,1H3,(H,14,15,16);3H,1-2H3,(H,7,8,9)

InChIKey

InChIKey=NSXDYOBMGOUYQJ-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)CC1(S(=O)(=O)O)C)=CC=CC2.CC1=CC(C)=NC(=O)N1

Canonical SMILES

O=C1N=C(C=C(N1)C)C.O=C1C=2C=CC=CC2C(=O)C(C)(C1)S(=O)(=O)O

Other Names for this Substance

  • 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 4,6-dimethyl-2(1H)-pyrimidinone (1:1)
  • 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, compd. with 4,6-dimethyl-2-pyrimidinol (1:1)
  • 2-Pyrimidinol, 4,6-dimethyl-, mono(1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonate) (salt)
  • 2(1H)-Pyrimidinone, 4,6-dimethyl-, mono(1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-2-naphthalenesulfonate)
  • Menadione dimethylpyrimidinol bisulfite

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