Bremazocin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Bremazocin

Bremazocin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	75684-07-0^Y
ATC kod	none
PubChem	CID 1223
IUPHAR/BPS	1603
ChemSpider	1186^Y
UNII	ISF76M2DBE^Y
ChEMBL	CHEMBL1165792^Y
Hemijski podaci
Formula	C₂₀H₂₉NO₂
Molarna masa	315,450
SMILES CC[C@]12CCN(CC3(O)CC3)[C@H](Cc4ccc(O)cc14)C2(C)C
InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20+/m1/s1^Y Key:ZDXGFIXMPOUDFF-XLIONFOSSA-N^Y

Bremazocin je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 315,450 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,4
Rastvorljivost^[2] (logS, log(mol/L))	-4,4
Polarna površina^[3] (PSA, Å²)	43,7

^ 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.