69-22-7 Usage
Description
Caffeine Citrate, also known as Cafcit, is a citrate salt of caffeine that is used in medical treatments. It possesses properties similar to caffeine but with a faster onset of action due to its quicker dissociation rate. This characteristic makes it a suitable pharmaceutical candidate for specific applications.
Uses
Used in Medical Treatment:
Caffeine Citrate is used as a treatment for apnea of prematurity, which is a condition characterized by the lack of breathing in premature infants. Its rapid onset of action helps in addressing this critical medical issue more effectively.
Additionally, Caffeine Citrate is used as a treatment for severe migraines. The application of Caffeine Citrate in this context is due to its ability to provide relief from the intense pain associated with migraines, offering a faster response compared to regular caffeine.
Check Digit Verification of cas no
The CAS Registry Mumber 69-22-7 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 6 and 9 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 69-22:
(4*6)+(3*9)+(2*2)+(1*2)=57
57 % 10 = 7
So 69-22-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
69-22-7Relevant articles and documents
Testing the limits of NMR crystallography: The case of caffeine-citric acid hydrate
Kerr, Hannah E.,Mason, Helen E.,Sparkes, Hazel A.,Hodgkinson, Paul
, p. 6700 - 6707 (2016/09/09)
The crystal structure of a new 1:2 caffeine-citric acid hydrate cocrystal is presented. The caffeine molecules are disordered over two positions, with the nature of the disorder confirmed to be static by 13C solid-state NMR. NMR linewidths in statically disordered systems reflect the distribution of local chemical environments, and this study investigates whether the disorder contribution to 13C linewidths can be predicted computationally. The limits of NMR crystallography calculations using density functional theory are tested by investigating how geometry optimisation conditions affect calculated NMR parameters. Careful optimisation is shown to reduce differences between 13C constants of symmetry-related sites to about 0.1 ppm. This is just sufficient to observe a correlation between calculated and experimental linewidths, and also show that systematic errors associated with geometry optimisation do not compromise other applications of "NMR crystallography". In addition, the unit cell enthalpies calculated after careful optimisations provide insight into why the disordered structure is adopted.