Citarabin

Citarabin
Klinički podaci


Prodajno ime	Alexan, AR3, Arabitin, Arafcyt
Drugs.com	Monografija
Način primene	Intratekalno
Farmakokinetički podaci
Poluvreme eliminacije	10 minuta
Izlučivanje	Renalno

Identifikatori
CAS broj	147-94-4^Y
ATC kod	L01BC01 (WHO)
PubChem	CID 6253
DrugBank	DB00987^Y
ChemSpider	6017^Y
KEGG	C02961^Y
ChEBI	CHEBI:28680^Y
ChEMBL	CHEMBL803^Y
Hemijski podaci
Formula	C₉H₁₃N₃O₅
Molarna masa	243,217
SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1^Y Key:UHDGCWIWMRVCDJ-CCXZUQQUSA-N^Y

Fizički podaci
Tačka topljenja	2.125 °C (3.857 °F)

Citarabin je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 243,217 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	4
Broj rotacionih veza	2
Particioni koeficijent^[3] (ALogP)	-2,4
Rastvorljivost^[4] (logS, log(mol/L))	-0,3
Polarna površina^[5] (PSA, Å²)	128,6

^ 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.