Pamabrom : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pamabrom

Pamabrom
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	606-04-2^Y
ATC kod	none
PubChem	CID 11806
ChemSpider	11313^Y
UNII	UA8U0KJM72^Y
Hemijski podaci
Formula	C₁₁H₁₈BrN₅O₃
Molarna masa	348,196
SMILES CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O.CC(C)(N)CO
InChI InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3^Y Key:ATOTUUBRFJHZQG-UHFFFAOYSA-N^Y

Pamabrom je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 348,196 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	3
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	-0,2
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	115,6

^ 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.