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AD-1211

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AD-1211
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	83374-58-7^Да
ATC kod	none
PubChem	CID173526
ChemSpider	26286944^Да
Sinonimi	AD-1211
Hemijski podaci
Formula	C₂₃H₃₀N₂O
Molarna masa	350,497
SMILES CC(=CCN1CCN(CC1)[C@H](Cc2cccc(O)c2)c3ccccc3)C
InChI InChI=1S/C23H30N2O/c1-19(2)11-12-24-13-15-25(16-14-24)23(21-8-4-3-5-9-21)18-20-7-6-10-22(26)17-20/h3-11,17,23,26H,12-16,18H2,1-2H3/t23-/m1/s1^Да Key:WLHCNEPBQJOHKW-HSZRJFAPSA-N^Да

AD-1211 jeorgansko jedinjenje, koje sadrži 23atoma ugljenika i imamolekulsku masu od 350,497Da.

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	5,0
Rastvorljivost^[2] (logS, log(mol/L))	-4,8
Polarna površina^[3] (PSA,Å²)	26,7

^Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”.The Journal of Physical Chemistry A.102 (21): 3762—3772.Bibcode:1998JPCA..102.3762G.doi:10.1021/jp980230o.
^Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”.Journal of Chemical Information and Computer Sciences.41 (6): 1488—1493.PMID 11749573.doi:10.1021/ci000392t.
^Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”.Journal of Medicinal Chemistry.43 (20): 3714—3717.PMID 11020286.doi:10.1021/jm000942e.