Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (1:1)

CAS Registry Number®

24381-49-5

CAS Name

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (1:1)

Molecular Formula

C5H14NO.C5H3N2O4

Cite this Page

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24381-49-5 (retrieved 2024-11-22) (CAS RN: 24381-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-152 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H4N2O4.C5H14NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7/h1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

InChIKey=IMAGLCGCHKGGLR-UHFFFAOYSA-M

SMILES

C([O-])(=O)C1=CC(=O)NC(=O)N1.C([N+](C)(C)C)CO

Canonical SMILES

O=C([O-])C1=CC(=O)NC(=O)N1.OCC[N+](C)(C)C

Other Names for this Substance

  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (1:1)
  • Choline, orotate (salt)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid (1:1)
  • Orotic acid, ion(1-), choline
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, ion(1-), 2-hydroxy-N,N,N-trimethylethanaminium

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Deleted or Replaced CAS Registry Numbers

2882-48-6, 846606-36-8

CAS INSIGHTSTM
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