Psihotridin

Psihotridin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	52617-25-1^Y
ATC kod	none
PubChem	CID 171175
ChemSpider	149650^Y
Hemijski podaci
Formula	C₅₅H₆₂N₁₀
Molarna masa	863,148
SMILES CN1CCC2(C1Nc3ccccc23)c4cccc5c4NC6N(C)CCC56c7cccc8c7NC9N(C)CCC89C%10%11CCN(C)C%10Nc%12c(cccc%11%12)C%13%14CCN(C)C%13Nc%15ccccc%14%15
InChI InChI=1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-48-53(36,25-30-63(48)3)38-18-12-20-40-45(38)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)59-44-37(17-11-19-39(44)54)52-24-29-62(2)47(52)57-42-22-9-7-14-34(42)52/h6-22,46-50,56-60H,23-32H2,1-5H3^Y Key:DVJSMVZSIBHXAO-UHFFFAOYSA-N^Y

Psihotridin je organsko jedinjenje, koje sadrži 55 atoma ugljenika i ima molekulsku masu od 863,148 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	5
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	7,5
Rastvorljivost^[2] (logS, log(mol/L))	-10,3
Polarna površina^[3] (PSA, Å²)	76,3

^ 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.