Lofepramin

Lofepramin
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	23047-25-8^Y
ATC kod	N06AA07 (WHO)
PubChem	CID 3947
ChemSpider	3810^Y
UNII	OCA4JT7PAW^Y
KEGG	D08140^Y
ChEBI	CHEBI:47782^Y
ChEMBL	CHEMBL87708^Y
Hemijski podaci
Formula	C₂₆H₂₇ClN₂O
Molarna masa	418,958
SMILES CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4
InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3^Y Key:SAPNXPWPAUFAJU-UHFFFAOYSA-N^Y

Lofepramin je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 418,958 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	6,3
Rastvorljivost^[2] (logS, log(mol/L))	-7,4
Polarna površina^[3] (PSA, Å²)	23,6

^ 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.