Tipepidin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Tipepidin

Tipepidin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	5169-78-8^Y
ATC kod	R05DB24 (WHO)
PubChem	CID 5484
ChemSpider	5284^Y
UNII	2260ZP67IT^Y
KEGG	D08604^Y
Hemijski podaci
Formula	C₁₅H₁₇NS₂
Molarna masa	275,432
SMILES CN1CCCC(=C(c2cccs2)c3cccs3)C1
InChI InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3^Y Key:JWIXXNLOKOAAQT-UHFFFAOYSA-N^Y

Tipepidin je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 275,432 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-5,0
Polarna površina^[3] (PSA, Å²)	59,7

^ 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.