MedKoo proposes 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 straightforward method to name chemicals and chemical intermediates, which is described as below:
Rule 1: If the chemical has a CAS number, use 3 letters from its InChi Key and the last 5 digits of its CAS number. The InChi Key consists of 3 blocks of letters, and 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 digits are 81586.
InChi Key: BCPWNYREAURMOP-UHFFFAOYSA-N
Thus its MedKoo chemical name is BUN81586
Rule 2: If the chemical does not have a CAS number, we can use 3 letters from its InChi Key (selected from the first letter of each section of its InChiKey) and the 5 digits from its molecular weight. The InChi Key consists of 3 blocks of letters, and the first letter of each block is used. For numbers from the molecular weight, use only the integer rounded up to the nearest whole number, and if the molecular weight is less than 5 digits, use 0 to make up 5 total digits.
IUPAC name: benzene-1,2,4-triyltriboronic acid
This compound has no CAS number.
InChi Key: QMAURADHIXICIH-UHFFFAOYSA-N
Its molecular weight is 209.56, so the integer rounded up to the nearest whole number would be 210.
Thus, Its Medkoo chemical name should be QUN00210