The Orotic acid, with the CAS registry number 65-86-1, is also known as 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidecarboxylic acid. It belongs to the product category of Vitamin Ingredients. Its EINECS number is 200-619-8. This chemical's molecular formula is C₅H₄N₂O₄ and molecular weight is 156.10. What's more, its systematic name is 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Mutation data. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from moisture and mildew. It is a heterocyclic compound and an acid. Historically it was believed to be part of the Vitamin B complex and was called vitamin B13, but it is now known that it is not a vitamin. The compound is manufactured in the body by intestinal flora. It is sometimes used as a mineral carrier in some dietary supplements (to increase their bioavailability), most commonly for lithium orotate. This chemical is used in biochemical research, especially the biosynthesis of nucleic acids.

Physical properties of Orotic acid are: (1)ACD/LogP: -0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.64; (4)ACD/LogD (pH 7.4): -4.56; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 95.5 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 31.111 cm³; (15)Molar Volume: 95.051 cm³; (16)Polarizability: 12.333×10^-24cm³; (17)Surface Tension: 68.58 dyne/cm; (18)Density: 1.642 g/cm³; (19)Flash Point: 351.1 °C; (20)Enthalpy of Vaporization: 101.63 kJ/mol; (21)Boiling Point: 656.9 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-18 mmHg at 25°C.

Preparation: this chemical can be prepared by (2,5-dioxo-imidazolidin-4-ylidene)-acetic acid at the temperature of 64 °C. This reaction will need reagent 1 M aq. KOH with the reaction time of 3 hours. The yield is about 85%.

Uses of Orotic acid: it can be used to produce orotic acid N-hydroxysuccinimide ester at the ambient temperature. It will need reagent dicyclohexylcarbodiimide and solvent dimethylsulfoxide. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C1=C\C(=O)NC(=O)N1
(2)Std. InChI: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
(3)Std. InChIKey: PXQPEWDEAKTCGB-UHFFFAOYSA-N

The toxicity data is as follows: