Idarubicin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Idarubicin

Idarubicin
Klinički podaci


Prodajno ime	Idamycin, Idamycin PFS, Idarubicin Aglycone, Idarubicin HCl PFS
Drugs.com	Monografija
Način primene	Intravenozno
Farmakokinetički podaci
Poluvreme eliminacije	22 h
Izlučivanje	Bilijarno

Identifikatori
CAS broj	58957-92-9^Y
ATC kod	L01DB06 (WHO)
PubChem	CID 42890
DrugBank	DB01177^Y
ChemSpider	39117^Y
ChEBI	CHEBI:42068^Y
ChEMBL	CHEMBL1117^Y
Hemijski podaci
Formula	C₂₆H₂₇NO₉
Molarna masa	497,494
SMILES C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O
InChI InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1^Y Key:XDXDZDZNSLXDNA-TZNDIEGXSA-N^Y

Idarubicin je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 497,494 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	5
Broj rotacionih veza	3
Particioni koeficijent^[3] (ALogP)	0,6
Rastvorljivost^[4] (logS, log(mol/L))	-2,7
Polarna površina^[5] (PSA, Å²)	176,6

^ 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.