RTI-229

RTI-229

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	160948-17-4^Y
ATC kod	None
PubChem	CID 9910220
Hemijski podaci
Formula	C19H25IN2O
Molarna masa	424,319
SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(I)cc3)C(=O)N4CCCC4
InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1^Y Key:HPQILAIJSLHQQC-MLHJIOFPSA-N^Y

RTI-229 je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 424,319 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	3,2
Rastvorljivost[2] (logS, log(mol/L))	-4,5
Polarna površina[3] (PSA, Å^2)	23,6

Reference

1. 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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• RTI-229