Tribendimidin

Tribendimidin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	115103-15-6^Y
ATC kod	none
PubChem	CID 3086564
ChemSpider	2343161^Y
ChEMBL	CHEMBL427256^Y
Hemijski podaci
Formula	C₂₈H₃₂N₆
Molarna masa	452,594
SMILES CN(C)\C(=N\c1ccc(cc1)\N=C\c2ccc(\C=N\c3ccc(cc3)\N=C(/C)\N(C)C)cc2)\C
InChI InChI=1S/C28H32N6/c1-21(33(3)4)31-27-15-11-25(12-16-27)29-19-23-7-9-24(10-8-23)20-30-26-13-17-28(18-14-26)32-22(2)34(5)6/h7-20H,1-6H3/b29-19+,30-20+,31-21+,32-22+^Y Key:XOIOGKHKNQYULW-HTNNXBMUSA-N^Y

Tribendimidin je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 452,594 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-9,0
Polarna površina^[3] (PSA, Å²)	55,9

^ 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.