Bibrokatol

Bibrokatol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	6915-57-7^Y
ATC kod	S01AX05 (WHO)
PubChem	CID 16683103
ChemSpider	11232581^Y
UNII	0KJ20H1BLJ^Y
ChEMBL	CHEMBL44875^Y
Sinonimi	Bibrocathin Tetrabromopyrocatechol bismuth
Hemijski podaci
Formula	C₆HBiBr₄O₃
Molarna masa	649,667
SMILES [OH-].[Bi+3].[O-]c1c([O-])c(Br)c(Br)c(Br)c1Br
InChI InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3^Y Key:VTAVFIZOZUAKKE-UHFFFAOYSA-K^Y

Bibrokatol je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 649,667 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	2,0
Rastvorljivost^[2] (logS, log(mol/L))	-2,6
Polarna površina^[3] (PSA, Å²)	130,0

^ 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.