Bromoprid

Bromoprid
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	4093-35-0^Y
ATC kod	A03FA04 (WHO)
PubChem	CID 2446
ChemSpider	2352^Y
UNII	75473V2YZK^Y
KEGG	D07101^Y
ChEMBL	CHEMBL399510^Y
Hemijski podaci
Formula	C₁₄H₂₂BrN₃O₂
Molarna masa	344,247
SMILES CCN(CC)CC\N=C(/O)\c1cc(Br)c(N)cc1OC
InChI InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)^Y Key:GIYAQDDTCWHPPL-UHFFFAOYSA-N^Y

Bromoprid je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 344,247 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-3,9
Polarna površina^[3] (PSA, Å²)	71,1

^ 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.