LAE-32

LAE-32
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	478-99-9^Y
ATC kod	None
PubChem	CID 101704
ChemSpider	19975296^Y
Sinonimi	LAE, Lysergic acid ethylamide, d-lysergic acid ethylamide, d-ethyllysergamide,
Hemijski podaci
Formula	C₁₈H₂₁N₃O
Molarna masa	295,379
SMILES CC\N=C(/O)\[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
InChI InChI=1S/C18H21N3O/c1-3-19-18(22)12-7-14-13-5-4-6-15-17(13)11(9-20-15)8-16(14)21(2)10-12/h4-7,9,12,16,20H,3,8,10H2,1-2H3,(H,19,22)/t12-,16-/m1/s1^Y Key:VEBWTGYUIBTVNR-MLGOLLRUSA-N^Y

LAE-32 je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 295,379 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	2,7
Rastvorljivost^[2] (logS, log(mol/L))	-3,8
Polarna površina^[3] (PSA, Å²)	51,6

^ 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.