Tenofovir/emtricitabin

Tenofovir/emtricitabin je organsko jedinjenje, koje sadrži 31 atom ugljenika i ima molekulsku masu od 882,762 Da.

Tenofovir/emtricitabin
Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	J05AR03 (WHO)
PubChem	CID 11954236
Hemijski podaci
Formula	C₃₁H₄₄FN₈O₁₇PS
Molarna masa	882,762
SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C.NC3=NC(=O)N(C=C3F)[C@@H]4CS[C@H](CO)O4.OC(=O)\C=C\C(=O)O
InChI InChI=1S/C19H30N5O10P.C8H10FN3O3S.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1,5-6,13H,2-3H2,(H2,10,11,14);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t14-;5-,6+;/m10./s1^Y Key:VERWQPYQDXWOGT-LVJNJWHOSA-N^Y

Osobine

Osobina	Vrednost
Broj akceptora vodonika	24
Broj donora vodonika	5
Broj rotacionih veza	21
Particioni koeficijent^[1] (ALogP)	1,0
Rastvorljivost^[2] (logS, log(mol/L))	-7,3
Polarna površina^[3] (PSA, Å²)	383,3

Reference

^ 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.

Literatura

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.

Spoljašnje veze

Tenofovir/emtricitabine

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