Mafenid

Mafenid
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	138-39-6^Y
ATC kod	D06BA03 (WHO)
PubChem	CID 3998
ChemSpider	3858^Y
UNII	58447S8P4L^Y
KEGG	D02351^Y
ChEMBL	CHEMBL419^Y
Hemijski podaci
Formula	C₇H₁₀N₂O₂S
Molarna masa	186,232
SMILES NCc1ccc(cc1)S(=O)(=O)N
InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)^Y Key:TYMRLRRVMHJFTF-UHFFFAOYSA-N^Y

Mafenid je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 186,232 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	-0,4
Rastvorljivost^[2] (logS, log(mol/L))	-1,6
Polarna površina^[3] (PSA, Å²)	94,6

^ 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.