OROTIC ACID LITHIUM SALT MONOHYDRATE CAS#: 5266-20-6; 凯望编码 (ChemWhat Code): 782357

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名OROTIC ACID LITHIUM SALT
IUPAC Namelithium;2,4-dioxo-1H-pyrimidine-6-carboxylate
分子结构Structure of Orotic acid lithium salt CAS 5266-20-6
CAS编号 5266-20-6
EINECS Number226-081-4
MDL NumberNo data available
Beilstein Registry NumberNo data available
别名2,6-Dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylate de lithium
[French][ACD/IUPAC Name]
226-081-4[EINECS]
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, lithium salt (1:1)[ACD/Index Name]
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monolithium salt
5266-20-6[RN]
L2N7Z24B30[UNII]
Lithium 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
[ACD/IUPAC Name]
Lithium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Lithium orotate[Wiki] link-icon
Lithium-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarboxylat[German][ACD/IUPAC Name]
orotic acid lithium salt
分子式C5H3LiN2O4
分子量162.030
InChIInChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChI KeyIZJGDPULXXNWJP-UHFFFAOYSA-M
Canonical SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Li+]
Patent Information
Patent IDTitlePublication Date
US4886670NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS1989
US5594031CHROMENOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS1997

Physical Data

AppearanceWhite crystalline powder
Temperature (Solubility (MCS)), °CSolvent (Solubility (MCS))
17H2O
100H2O

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Spectrum1H
MAS (Magic-Angle Spinning), Solid state NMR, Spectrum1H0.056
MAS (Magic-Angle Spinning), Solid state NMR, 2D-NMR, Spectrum1H,1H0.056

Route of Synthesis (ROS)

Route of Synthesis (ROS) of OROTIC ACID LITHIUM SALT MONOHYDRATE CAS 5266-20-6
ConditionsYield
With hydrogenchloride In N,N-dimethyl-formamide at 70℃; for 2h;100%

Safety and Hazards

GHS Hazard StatementsNot Classified
Information may vary between notifications depending on impurities, additives, and other factors.

Other Data

TransportationUnder the room temperature and away from light
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
分子量162.031
logP-1.728
HBA6
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)98.33
Rotatable Bond (RotB)1
Matching Veber Rules2
Use Pattern
OROTIC ACID LITHIUM SALT MONOHYDRATE CAS#: 5266-20-6 as Pharmaceuticals
OROTIC ACID LITHIUM SALT MONOHYDRATE CAS#: 5266-20-6 as gout inflammation
in combination with celery seed extract, cherry (genus Prunus) fruit extract and optionally with further lithium salt selected from lithium aspartate, lithium proteinate, lithium citrate, lithium carbonate, and mixtures thereof
relieving gout symptoms
glutamate toxicity

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