Atrakurijum bezilat : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Atrakurijum bezilat

Atrakurijum bezilat
Klinički podaci

Drugs.com	besilate.html Monografija
Način primene	Intravenozno
Farmakokinetički podaci
Poluvreme eliminacije	20 minuta

Identifikatori
CAS broj	64228-79-1^Y
ATC kod	M03AC04 (WHO), M03AC11
PubChem	CID 47319
DrugBank	DB00732^Y
ChemSpider	43067^Y
KEGG	C07548^Y
ChEBI	CHEBI:2914^Y
ChEMBL	CHEMBL1360^Y
Hemijski podaci
Formula	C₅₃H₇₂N₂O₁₂
Molarna masa	929,145
SMILES COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1
InChI InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2^Y Key:YXSLJKQTIDHPOT-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	185—194 °C (365—381 °F)

Atrakurijum bezilat je organsko jedinjenje, koje sadrži 53 atoma ugljenika i ima molekulsku masu od 929,145 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	12
Broj donora vodonika	0
Broj rotacionih veza	26
Particioni koeficijent^[3] (ALogP)	5,8
Rastvorljivost^[4] (logS, log(mol/L))	-15,5
Polarna površina^[5] (PSA, Å²)	126,4

^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.
^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.
^ 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.