PARGY-LAD

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

ATC kod

nije dodeljen

ChemSpider^[1]

21106360

Hemijski podaci

Formula

C₂₂H₂₅N₃O

Mol. masa

347,453

SMILES

eMolekuli & PubHem

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 Key: BPJKJUFQSNRQCR-OXQOHEQNSA-N^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

Farmakoinformacioni podaci

Trudnoća

Pravni status

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^[2] (ALogP)	3,8
Rastvorljivost^[3] (logS, log(mol/L))	-3,4
Polarna površina^[4] (PSA, Å²)	39,3

Reference

↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ Ghose, A.K., Viswanadhan V.N., and 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. DOI:10.1021/ci000392t. PMID 11749573.
↑ 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. DOI:10.1021/jm000942e. PMID 11020286.

Literatura

Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.