Homopipramol

Homopipramol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	35142-68-8^Y
ATC kod	none
PubChem	CID 216247
ChemSpider	16736632^Y
UNII	09YNW8E5CT^Y
Hemijski podaci
Formula	C₂₄H₂₅N₃O
Molarna masa	371,475
SMILES OCCC1=CC=CN(CCCN2c3ccccc3C=Cc4ccccc24)N=C1
InChI InChI=1S/C24H25N3O/c28-18-14-20-7-5-15-26(25-19-20)16-6-17-27-23-10-3-1-8-21(23)12-13-22-9-2-4-11-24(22)27/h1-5,7-13,15,19,28H,6,14,16-18H2^Y Key:ZINSSHRARDCSFF-UHFFFAOYSA-N^Y

Homopipramol je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 371,475 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	3,4
Rastvorljivost^[2] (logS, log(mol/L))	-5,9
Polarna površina^[3] (PSA, Å²)	39,1

^ 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.