Dienogest : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Dienogest

Dienogest
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	65928-58-7^Y
ATC kod	G03DB08 (WHO) G03AB08 G03FA15 (combinations with estrogen)
PubChem	CID 68861
ChemSpider	62093^Y
UNII	46M3EV8HHE^Y
KEGG	D03799^Y
ChEBI	CHEBI:70708^Y
ChEMBL	CHEMBL1201864^Y
Sinonimi	17-hydroxy-3-oxo-19-nor-17α-pregna-4,9-diene-21-nitrile 17α-cyanomethyl-17β-hydroxy-estra-4,9(10)-dien-3-one
Hemijski podaci
Formula	C₂₀H₂₅NO₂
Molarna masa	311,418
SMILES C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N
InChI InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1^Y Key:AZFLJNIPTRTECV-FUMNGEBKSA-N^Y

Fizički podaci
Gustina	1.2 g/cm³
Tačka ključanja	549 °C (1.020 °F)

Dienogest je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 311,418 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	3,0
Rastvorljivost^[2] (logS, log(mol/L))	-4,0
Polarna površina^[3] (PSA, Å²)	61,1

^ 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.
^ 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.
^ 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.

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.