Halometazon

Halometazon

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	50629-82-8^Y
ATC kod	D07AC12 (WHO)
PubChem	CID 9846332
ChemSpider	8022046^Y
UNII	J69Z9UU41Z^Y
Sinonimi	(6S,8S,9R,10S,11S,13S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Hemijski podaci
Formula	C22H27ClF2O5
Molarna masa	444,897
SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO)Cl
InChI InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19-,20-,21-,22-/m1/s1^Y Key:GGXMRPUKBWXVHE-GIFMWBKYSA-N^Y

Halometazon je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 444,897 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	3
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	1,9
Rastvorljivost[2] (logS, log(mol/L))	-4,9
Polarna površina[3] (PSA, Å^2)	94,8

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

• Halometasone

Molimo Vas, obratite pažnju na važno upozorenje u vezi sa temama iz oblasti medicine (zdravlja).