Etofamid

Etofamid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	25287-60-9^Y
ATC kod	P01AC03 (WHO)
PubChem	CID 65718
UNII	03F36JH21U^Y
KEGG	D07355^Y
Hemijski podaci
Formula	C₁₉H₂₀Cl₂N₂O₅
Molarna masa	427,278
SMILES CCOCCN(Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)C(Cl)Cl
InChI InChI=1S/C19H20Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3^Y Key:QTRALMGDQMIVFF-UHFFFAOYSA-N^Y

Etofamid je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 427,278 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	0
Broj rotacionih veza	10
Particioni koeficijent^[1] (ALogP)	4,0
Rastvorljivost^[2] (logS, log(mol/L))	-6,5
Polarna površina^[3] (PSA, Å²)	84,6

^ 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.