PARGY-LAD : Osobine, Reference, Literatura, Spoljašnje veze Википедија

PARGY-LAD

PARGY-LAD
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
ChemSpider	21106360^Y
Sinonimi	PARGY-LAD, 6-propynyl- 6-nor- Lysergic acid diethylamide, (6aR,9R)- N,N- diethyl- 7-propynyl- 4,6,6a,7,8,9- hexahydroindolo- [4,3-fg] quinoline- 9- carboxamide
Hemijski podaci
Formula	C₂₂H₂₅N₃O
Molarna masa	347,453
SMILES CCN(CC)C(=O)[C@H]1CN(CC#C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
InChI InChI=1S/C22H25N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-17-8-7-9-19-21(17)15(13-23-19)12-20(18)25/h1,7-9,11,13,16,20,23H,5-6,10,12,14H2,2-3H3/t16-,20-/m1/s1^Y Key:BPJKJUFQSNRQCR-OXQOHEQNSA-N^Y

PARGY-LAD je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 347,453 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	3,8
Rastvorljivost^[2] (logS, log(mol/L))	-3,4
Polarna površina^[3] (PSA, Å²)	39,3

^ 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.