ETH-LAD

ETH-LAD

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	65527-62-0^Y
ATC kod	None
PubChem	CID 44457783
ChemSpider	21106300^Y
ChEMBL	CHEMBL22694^Y
Sinonimi	ETH-LAD, 6-ethyl-6-nor-Lysergic acid diethylamide
Hemijski podaci
Formula	C21H27N3O
Molarna masa	337,459
SMILES CCN(CC)C(=O)[C@H]1CN(CC)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
InChI InChI=1S/C21H27N3O/c1-4-23(5-2)21(25)15-10-17-16-8-7-9-18-20(16)14(12-22-18)11-19(17)24(6-3)13-15/h7-10,12,15,19,22H,4-6,11,13H2,1-3H3/t15-,19-/m1/s1^Y Key:MYNOUXJLOHVSMQ-DNVCBOLYSA-N^Y

ETH-LAD je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 337,459 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent[1] (ALogP)	3,0
Rastvorljivost[2] (logS, log(mol/L))	-3,9
Polarna površina[3] (PSA, Å^2)	39,3

Reference

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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• ETH-LAD