Flufenaminska kiselina

Flufenaminska kiselina
Klinički podaci


Drugs.com	acid.html Monografija
Identifikatori
CAS broj	530-78-9^Y
ATC kod	M01AG03 (WHO)
PubChem	CID 3371
IUPHAR/BPS	2447
DrugBank	DB02266^Y
ChemSpider	3254^Y
KEGG	C13038^Y
ChEBI	CHEBI:31619^Y
ChEMBL	CHEMBL23588^Y
Hemijski podaci
Formula	C₁₄H₁₀F₃NO₂
Molarna masa	281,230
SMILES OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F
InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)^Y Key:LPEPZBJOKDYZAD-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	1.335 °C (2.435 °F)

Flufenaminska kiselina je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 281,230 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[3] (ALogP)	4,0
Rastvorljivost^[4] (logS, log(mol/L))	-4,8
Polarna površina^[5] (PSA, Å²)	49,3

^ 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.