Products 104-31-4

CAS 104-31-4 appears in our catalog under these names: Benzonatate, Benzonatate/ 99.75% (existing batch purity), Benzonatate 98+%, Benzonatate, 98+%, 98+%, Benzonatate (Standard). Offered by: Chemat Brand, TargetMol, GLPBio, Ambeed, Chemat. Available pack sizes: on request, 5mg, 10mg, 25mg, 50mg, 100mg, 1mg, 10mM (in 1ml dmso).

Structural formula: {0} (CAS {1})

Benzonatate is the ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant. It has a role as an anaesthetic and an antitussive. It is a benzoate ester, a substituted aniline and a secondary amino compound. It is functionally related to a 4-(butylamino)benzoic acid and a nonaethylene glycol monomethyl ether.

Source: ChEBI

Identity
Molecular formulaC30H53NO11
Molecular weight603.7 g/mol
IUPAC name2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
InChIKeyMAFMQEKGGFWBAB-UHFFFAOYSA-N
SMILESCCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC

Computed by PubChem (NCBI)