Brivudin

Brivudin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	69304-47-8^Y
ATC kod	J05AB15 (WHO)
PubChem	CID 446727
ChemSpider	394011^Y
UNII	2M3055079H^Y
ChEMBL	CHEMBL31634^Y
Hemijski podaci
Formula	C₁₁H₁₃BrN₂O₅
Molarna masa	333,135
SMILES OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(\C=C\Br)C(=NC2=O)O
InChI InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1^Y Key:ODZBBRURCPAEIQ-PIXDULNESA-N^Y

Brivudin je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 333,135 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	-0,4
Rastvorljivost^[2] (logS, log(mol/L))	-1,9
Polarna površina^[3] (PSA, Å²)	102,6

^ 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.