Budiodaron

Budiodaron
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	335148-45-3^Y
PubChem	CID 9833332
ChemSpider	8009056^Y
Hemijski podaci
Formula	C₂₇H₃₁I₂NO₅
Molarna masa	703,348
SMILES CC[C@H](C)OC(=O)Cc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
InChI InChI=1S/C27H31I2NO5/c1-5-17(4)34-24(31)16-23-25(19-10-8-9-11-22(19)35-23)26(32)18-14-20(28)27(21(29)15-18)33-13-12-30(6-2)7-3/h8-11,14-15,17H,5-7,12-13,16H2,1-4H3/t17-/m0/s1^Y Key:ZXOSVKYCXLTVGS-KRWDZBQOSA-N^Y

Budiodaron je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 703,348 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	0
Broj rotacionih veza	13
Particioni koeficijent^[1] (ALogP)	6,9
Rastvorljivost^[2] (logS, log(mol/L))	-9,8
Polarna površina^[3] (PSA, Å²)	69,0

^ 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.