Meztanolon

Meztanolon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	521-11-9^Y
ATC kod	none
PubChem	CID 10633
ChemSpider	10187^Y
UNII	S712YZ168E^Y
KEGG	D01533^Y
ChEMBL	CHEMBL261514^Y
Sinonimi	(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Hemijski podaci
Formula	C₂₀H₃₂O₂
Molarna masa	304,467
SMILES C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18+,19+,20+/m0/s1^Y Key:WYZDXEKUWRCKOB-KSKDJLBLSA-N^Y

Meztanolon je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 304,467 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	3,5
Rastvorljivost^[2] (logS, log(mol/L))	-5,2
Polarna površina^[3] (PSA, Å²)	37,3

^ 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.