Desoksimetiltestosteron

Desoksimetiltestosteron
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	3275-64-7^Y
ATC kod	none
PubChem	CID 18651
ChemSpider	17611^Y
Sinonimi	Desoxymethyltestosterone; Madol; Pheraplex; 17α-Methyl-5α-androst-2-en-17β-ol
Hemijski podaci
Formula	C₂₀H₃₂O
Molarna masa	288,467
SMILES C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@@]4(C)[C@H]3CC[C@@]12C
InChI InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m1/s1^Y Key:FRVHJVATKMIOPQ-SCCUFHEXSA-N^Y

Desoksimetiltestosteron je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 288,467 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	4,5
Rastvorljivost^[2] (logS, log(mol/L))	-6,1
Polarna površina^[3] (PSA, Å²)	20,2

^ 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.