Benzokain

Benzokain
Klinički podaci


Prodajno ime	Aethoform, Amben Ethyl Ester, Americaine, Anaesthan-Syngala
Drugs.com	Monografija
Način primene	Oralno, topikalno
Identifikatori
CAS broj	94-09-7^Y
ATC kod	C05AD03 (WHO), A01AD11
PubChem	CID 2337
DrugBank	DB01086^Y
ChemSpider	13854242^Y
KEGG	C07527^Y
ChEBI	CHEBI:116735^Y
ChEMBL	CHEMBL278172^Y
Hemijski podaci
Formula	C₉H₁₁NO₂
Molarna masa	165,189
SMILES CCOC(=O)C1=CC=C(N)C=C1
InChI InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3^Y Key:BLFLLBZGZJTVJG-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	92 °C (198 °F)
Tačka ključanja	310 °C (590 °F)

Benzokain je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 165,189 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent^[3] (ALogP)	1,3
Rastvorljivost^[4] (logS, log(mol/L))	-1,8
Polarna površina^[5] (PSA, Å²)	52,3

^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.
^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.