Oksimetolon

Oksimetolon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	434-07-1^Y
ATC kod	A14AA05 (WHO)
PubChem	CID 5281034
ChemSpider	4444502^Y
UNII	L76T0ZCA8K^Y
KEGG	D00490^Y
ChEMBL	CHEMBL1200585^Y
Hemijski podaci
Formula	C₂₁H₃₂O₃
Molarna masa	332,477
SMILES C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)\C(=C/O)\C[C@@]4(C)[C@H]3CC[C@@]12C
InChI InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19+,20+,21+/m0/s1^Y Key:ICMWWNHDUZJFDW-ODJAFEPRSA-N^Y

Oksimetolon je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 332,477 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-4,9
Polarna površina^[3] (PSA, Å²)	57,5

^ 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.