Nifurtimoks

Nifurtimoks
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	23256-30-6^Y
ATC kod	P01CC01 (WHO) QP51AC01
PubChem	CID 31772
ChemSpider	29464^Y
UNII	M84I3K7C2O^Y
KEGG	D00833^Y
ChEMBL	CHEMBL290960^Y
Hemijski podaci
Formula	C₁₀H₁₃N₃O₅S
Molarna masa	287,292
SMILES CC1CS(=O)(=O)CCN1\N=C\c2oc(cc2)[N+](=O)[O-]
InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+^Y Key:ARFHIAQFJWUCFH-IZZDOVSWSA-N^Y

Nifurtimoks je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 287,292 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,8
Rastvorljivost^[2] (logS, log(mol/L))	-2,6
Polarna površina^[3] (PSA, Å²)	117,1

^ 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.