Mefrusid

Mefrusid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	7195-27-9^Y
ATC kod	C03BA05 (WHO)
PubChem	CID 4047
UNII	X1NS9SNS92^Y
KEGG	D01877^Y
Hemijski podaci
Formula	C₁₃H₁₉ClN₂O₅S₂
Molarna masa	382,883
SMILES CN(CC1(C)CCCO1)S(=O)(=O)c2ccc(Cl)c(c2)S(=O)(=O)N
InChI InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)^Y Key:SMNOERSLNYGGOU-UHFFFAOYSA-N^Y

Mefrusid je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 382,883 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	0,9
Rastvorljivost^[2] (logS, log(mol/L))	-3,6
Polarna površina^[3] (PSA, Å²)	123,5

^ 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.