Flutazolam

Flutazolam

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	27060-91-9^Y
ATC kod	none
PubChem	CID 3398
ChemSpider	3281^Y
UNII	5G2K7O5D8S^Y
KEGG	D01286^Y
ChEMBL	CHEMBL1697836^Y
Sinonimi	13-chloro- 2-(2-fluorophenyl)- 9-(2-hydroxyethyl)- 3-oxa- 6,9-diazatricyclo[8.4.0.0^2,6] tetradeca-1(10),11,13- trien- 8-one
Hemijski podaci
Formula	C19H18ClFN2O3
Molarna masa	376,809
SMILES OCCN1C(=O)CN2CCOC2(c3ccccc3F)c4cc(Cl)ccc14
InChI InChI=1S/C19H18ClFN2O3/c20-13-5-6-17-15(11-13)19(14-3-1-2-4-16(14)21)22(8-10-26-19)12-18(25)23(17)7-9-24/h1-6,11,24H,7-10,12H2^Y Key:WMFSSTNVXWNLKI-UHFFFAOYSA-N^Y

Flutazolam je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 376,809 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	3
Particioni koeficijent[1] (ALogP)	2,7
Rastvorljivost[2] (logS, log(mol/L))	-3,3
Polarna površina[3] (PSA, Å^2)	53,0

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

• Flutazolam