Lanreotid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Lanreotid

Lanreotid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	108736-35-2^Y
ATC kod	H01CB03 (WHO)
PubChem	CID 71349
IUPHAR/BPS	2031
ChemSpider	64450^Y
UNII	0G3DE8943Y^Y
ChEMBL	CHEMBL1201185^Y
Hemijski podaci
Formula	C₅₄H₆₉N₁₁O₁₀S₂
Molarna masa	1096,323
SMILES CC(C)C1\N=C(\O)/C(CCCCN)\N=C(\O)/C(Cc2c[nH]c3ccccc23)\N=C(\O)/C(Cc4ccc(O)cc4)\N=C(\O)/C(CSSCC(\N=C/1\O)\C(=N\C(C(C)O)C(=N)O)\O)\N=C(/O)\C(N)Cc5ccc6ccccc6c5
InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)^Y Key:PUDHBTGHUJUUFI-UHFFFAOYSA-N^Y

Lanreotid je organsko jedinjenje, koje sadrži 54 atoma ugljenika i ima molekulsku masu od 1096,323 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	22
Broj donora vodonika	14
Broj rotacionih veza	17
Particioni koeficijent^[1] (ALogP)	7,2
Rastvorljivost^[2] (logS, log(mol/L))	-13,7
Polarna površina^[3] (PSA, Å²)	431,1

^ 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.
^ 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.