Ramosetron

Ramosetron

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	132907-72-3^Y
ATC kod	none
PubChem	CID 108000
IUPHAR/BPS	2305
UNII	7ZRO0SC54Y^Y
ChEMBL	CHEMBL1643895^Y
Hemijski podaci
Formula	C17H17N3O
Molarna masa	279,336
SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c4ccccc14
InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1^Y Key:NTHPAPBPFQJABD-LLVKDONJSA-N^Y

Ramosetron je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 279,336 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	2,6
Rastvorljivost[2] (logS, log(mol/L))	-4,5
Polarna površina[3] (PSA, Å^2)	50,7

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

• Ramosetron