MedKoo is now proposing a simple, easy and unique method to name chemical intermedates or any chemicals without a code name or simple-to-use name.
Chemical nomenclature is the term given to the naming of compounds. Chemists use specific rules and “conventions” to name different compounds. The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC). However, the IUPAC name is usually very long and is not convenient for scientific communications and lab book recording. In order to make the name simple and unique, MedKoo is proposing a very simple, and easy method to name chemicals and chemical intermediates, which is described as below:
Rule 1: using 3 three letters from its inchi key and the last 5 digit of its CAS number. Inchi key is consisted of 3 blocks of letters. The first letter of each block is used.
IUPAC name: ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
This compound has CAS# 139481-58-6. The last 5 digit is 81586.
Inchi Key: BCPWNYREAURMOP-UHFFFAOYSA-N
Thus Its MedKoo chemical name is BUN81586
Rule 2: In case if the chemical does not have a CAS number, we can use 3 three letters from its inchi key (selected from the first letter of each section ub ubcgu key) and the 5 digit from its molecule weight. Inchi key is consisted of 3 blocks of letters. The first letter of each block is used. For numbers from the molecule weight, (a) only use the integer with round up to nearest whole number, (b) if the molecule weight is less than 5 digit, use 0 to make up total 5 digit
IUPAC name: benzene-1,2,4-triyltriboronic acid
This compound has no CAS number.
Inchi Key: QMAURADHIXICIH-UHFFFAOYSA-N
It molecule weight is 209.56. the integer with round up to nearest whole number would be 210.
Thus, Its Medkoo chemical name should be QUN00210