Flumedrokson

Flumedrokson

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	987-18-8^Y
ATC kod	N02CB01 (WHO)
PubChem	CID 71881
UNII	K80185F39X^Y
Sinonimi	(6S,10R,13S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 17-Acetyloxy-6α-(trifluoromethyl)preg-4-ene-3,20-dione
Hemijski podaci
Formula	C22H29F3O3
Molarna masa	398,459
SMILES CC(=O)[C@]1(O)CCC2C3C[C@@H](C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F
InChI InChI=1S/C22H29F3O3/c1-12(26)21(28)9-6-16-14-11-18(22(23,24)25)17-10-13(27)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,28H,4-9,11H2,1-3H3/t14?,15?,16?,18-,19+,20-,21+/m0/s1^Y Key:CDZJOBWKHSYNMO-BQVNIZPZSA-N^Y

Flumedrokson je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 398,459 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	3,7
Rastvorljivost[2] (logS, log(mol/L))	-5,7
Polarna površina[3] (PSA, Å^2)	54,4

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

• Flumedroxone

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