Karperidin

Karperidin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	7528-13-4^Y
ATC kod	none
PubChem	CID 24149
ChemSpider	22571^Y
UNII	LZ6E4G9827^Y
Sinonimi	Carperidine
Hemijski podaci
Formula	C₁₇H₂₄N₂O₃
Molarna masa	304,384
SMILES CCOC(=O)C1(CCN(CCC(=N)O)CC1)c2ccccc2
InChI InChI=1S/C17H24N2O3/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-19(13-10-17)11-8-15(18)20/h3-7H,2,8-13H2,1H3,(H2,18,20)^Y Key:IXZCNCWEDOHVLK-UHFFFAOYSA-N^Y

Karperidin je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 304,384 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	2,2
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	73,6

^ 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.