Pretkamid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pretkamid

Pretkamid
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	8015-51-8^Y
ATC kod	R07AB06 (WHO)
PubChem	CID 71672
UNII	41A1FCW148^Y
Hemijski podaci
Formula	C₂₅H₄₆N₄O₄
Molarna masa	466,657
SMILES CCCN(C(CC)C(=O)N(C)C)C(=O)C=CC.CCC(N(CC)C(=O)C=CC)C(=O)N(C)C
InChI InChI=1S/C13H24N2O2.C12H22N2O2/c1-6-9-12(16)15(10-7-2)11(8-3)13(17)14(4)5;1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9,11H,7-8,10H2,1-5H3;6,9-10H,7-8H2,1-5H3^Y Key:ZDHWSRRZUPRQBD-UHFFFAOYSA-N^Y

Pretkamid je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 466,657 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	11
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-5,6
Polarna površina^[3] (PSA, Å²)	81,2

^ 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.