CAS Registry Number

A CAS Registry Number (also referred to as CAS RN or informally CAS Number) is a unique identification number assigned by the Chemical Abstracts Service (CAS) in the US to every chemical substance described in the open scientific literature. It includes all substances described from 1957 through the present, plus some substances from as far back as the early 1800s. It is a chemical database that includes organic and inorganic compounds, minerals, isotopes, alloys, mixtures, and nonstructurable materials (UVCBs, substances of unknown or variable composition, complex reaction products, or biological origin). CAS RNs are generally serial numbers (with a check digit), so they do not contain any information about the structures themselves the way SMILES and InChI strings do. The registry maintained by CAS is an authoritative collection of disclosed chemical substance information. It identifies more than 204 million unique organic and inorganic substances and 70 million protein and DNA sequences, plus additional information about each substance. It is updated with around 15,000 additional new substances daily. A collection of almost 500 thousand CAS registry numbers are made available under a CC BY-NC license at ACS Commons Chemistry. Historically, chemicals have been identified by a wide variety of synonyms. Frequently these are arcane and constructed according to regional naming conventions relating to chemical formulae, structures or origins. Well-known chemicals may additionally be known via multiple generic, historical, commercial, and/or (black)-market names. CAS Registry Numbers (CAS RN) are simple and regular, convenient for database searches. They offer a reliable, common and international link to every specific substance across the various nomenclatures and disciplines used by branches of science, industry, and regulatory bodies. Almost all molecule databases today allow searching by CAS Registry Number. A CAS Registry Number has no inherent meaning, but is assigned in sequential, increasing order when the substance is identified by CAS scientists for inclusion in the CAS REGISTRY database.

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The International Chemical Identifier (InChI ˈɪntʃiː or ˈɪŋkiː ) is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web. Initially developed by the International Union of Pure and Applied Chemistry (IUPAC) and National Institute of Standards and Technology (NIST) from 2000 to 2005, the format and algorithms are non-proprietary.

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CAS Registry Number