Abakavir/lamivudin/zidovudin

Abakavir/lamivudin/zidovudin
Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	J05AR04 (WHO)
ChemSpider	21106400
Hemijski podaci
Formula	C32H42N14O8S
Molarna masa	782,830
	SMILES CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C1O.OC[C@H]3C[C@H](C=C3)N4C=NC5=C(NC6CC6)NC(=N)N=C45.OC[C@H]7O[C@H](CS7)N8C=CC(=N)N=C8O; ;
	InChI InChI=1S/C14H18N6O.C10H13N5O4.C8H11N3O3S/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-2,6-7,12H,3-4H2,(H2,9,10,13)/t8-,10+;6-,7+,8+;6-,7+/m101/s1 ; Key:YATVXQQJLKIPSI-VETFBQQWSA-N ;

Abakavir/lamivudin/zidovudin je organsko jedinjenje, koje sadrži 32 atoma ugljenika i ima molekulsku masu od 782,830 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	20
Broj donora vodonika	9
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	0,0
Rastvorljivost^[2] (logS, log(mol/L))	-3,4
Polarna površina^[3] (PSA, Å²)	342,6

^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o.
^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”. Journal of Medicinal Chemistry. 43 (20): 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.

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