Tetrahidropalmatin

Tetrahidropalmatin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	10097-84-4^Y
ATC kod	None
PubChem	CID 72301
ChemSpider	65252^Y
ChEBI	CHEBI:16563^Y
ChEMBL	CHEMBL487182^Y
Hemijski podaci
Formula	C21H25NO4
Molarna masa	355,427
SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC
InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1^Y Key:AEQDJSLRWYMAQI-KRWDZBQOSA-N^Y

Tetrahidropalmatin je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 355,427 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent[1] (ALogP)	3,6
Rastvorljivost[2] (logS, log(mol/L))	-4,5
Polarna površina[3] (PSA, Å^2)	40,2

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

• Tetrahydropalmatine