Noretandrolon

Noretandrolon

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	52-78-8^Y
ATC kod	A14AA09 (WHO)
PubChem	CID 5858
ChemSpider	5649^Y
UNII	P7W01638W6^Y
KEGG	D07127^Y
Sinonimi	(8R,9S,10R,13S,14S,17S)-17-Ethyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Hemijski podaci
Formula	C20H30O2
Molarna masa	302,451
SMILES CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C
InChI InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19+,20+/m0/s1^Y Key:ZDHCJEIGTNNEMY-IEJRGFGGSA-N^Y

Noretandrolon je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 302,451 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent[1] (ALogP)	4,0
Rastvorljivost[2] (logS, log(mol/L))	-4,8
Polarna površina[3] (PSA, Å^2)	37,3

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

• Norethandrolone

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