Pramikonazol : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pramikonazol

Pramikonazol
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	none
PubChem	CID 11411233
UNII	4SYH0R661F^Y
ChEMBL	CHEMBL175797^Y
Hemijski podaci
Formula	C₃₅H₃₉F₂N₇O₄
Molarna masa	659,725
SMILES CC(C)N1CCN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(F)cc7F)cc4
InChI InChI=1S/C35H39F2N7O4/c1-25(2)43-17-18-44(34(43)45)29-6-4-27(5-7-29)40-13-15-41(16-14-40)28-8-10-30(11-9-28)46-20-31-21-47-35(48-31,22-42-24-38-23-39-42)32-12-3-26(36)19-33(32)37/h3-12,19,23-25,31H,13-18,20-22H2,1-2H3/t31-,35-/m0/s1^Y Key:CZLFUJJQMZZHMG-ZJJOJAIXSA-N^Y

Pramikonazol je organsko jedinjenje, koje sadrži 35 atoma ugljenika i ima molekulsku masu od 659,725 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	0
Broj rotacionih veza	10
Particioni koeficijent^[1] (ALogP)	5,0
Rastvorljivost^[2] (logS, log(mol/L))	-5,7
Polarna površina^[3] (PSA, Å²)	88,4

^ 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.