Cilobamin

Cilobamin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	69429-84-1^Y
ATC kod	none
PubChem	CID 299379
ChemSpider	8557262^Y
UNII	067U1T4S30^Y
Hemijski podaci
Formula	C₁₇H₂₃Cl₂NO
Molarna masa	328,277
SMILES CC(C)N[C@@H]1C2CCC(CC2)[C@@]1(O)c3ccc(Cl)c(Cl)c3
InChI InChI=1S/C17H23Cl2NO/c1-10(2)20-16-11-3-5-12(6-4-11)17(16,21)13-7-8-14(18)15(19)9-13/h7-12,16,20-21H,3-6H2,1-2H3/t11?,12?,16-,17-/m1/s1^Y Key:MQILJMOEUMZBHK-FIMMUYGNSA-N^Y

Cilobamin je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 328,277 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	4,4
Rastvorljivost^[2] (logS, log(mol/L))	-5,7
Polarna površina^[3] (PSA, Å²)	32,3

^ 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.