Meladrazin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Meladrazin

Meladrazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	13957-36-3^Y
ATC kod	G04BD03 (WHO)
PubChem	CID 71679
UNII	2V6Z0JG2X0^Y
KEGG	D07225^Y
Hemijski podaci
Formula	C₁₁H₂₃N₇
Molarna masa	253,347
SMILES CCN(CC)c1nc(NN)nc(n1)N(CC)CC
InChI InChI=1S/C11H23N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h5-8,12H2,1-4H3,(H,13,14,15,16)^Y Key:IRQOBYXMACIFKD-UHFFFAOYSA-N^Y

Meladrazin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 253,347 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-1,0
Polarna površina^[3] (PSA, Å²)	83,2

^ 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.