Melarzoprol

Melarzoprol
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	494-79-1^Y
ATC kod	P01CD01 (WHO) QP51AD04
PubChem	CID 10311
ChemSpider	9889^Y
UNII	ZF3786Q2E8^Y
KEGG	D00832^Y
ChEMBL	CHEMBL166^Y
Hemijski podaci
Formula	C₁₂H₁₅AsN₆OS₂
Molarna masa	398,339
SMILES OCC1CS[As](S1)c2ccc(NC3=NC(=N)NC(=N)N3)cc2
InChI InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)^Y Key:JCYZMTMYPZHVBF-UHFFFAOYSA-N^Y

Melarzoprol je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 398,339 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	6
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	1,2
Rastvorljivost^[2] (logS, log(mol/L))	-1,0
Polarna površina^[3] (PSA, Å²)	167,0

^ 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.