RCS-8

RCS-8
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	1345970-42-4^Y
ATC kod	None
ChemSpider	24751863^Y
Hemijski podaci
Formula	C₂₅H₂₉NO₂
Molarna masa	375,503
SMILES COc1ccccc1CC(=O)c2cn(CCC3CCCCC3)c4ccccc24
InChI InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3^Y Key:BSQFBMXCQIKYNI-UHFFFAOYSA-N^Y

RCS-8 je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 375,503 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	6,3
Rastvorljivost^[2] (logS, log(mol/L))	-8,2
Polarna površina^[3] (PSA, Å²)	31,2

^ 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.