Acetoksiketobemidon

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

CAS broj

107419-07-8

nije dodeljen

ChemSpider^[1]

10441717

Hemijski podaci

Formula

C₁₇H₂₃NO₃

Mol. masa

289,369

SMILES

eMolekuli & PubHem

InChI
InChI=1S/C17H23NO3/c1-4-16(20)17(8-10-18(3)11-9-17)14-6-5-7-15(12-14)21-13(2)19/h5-7,12H,4,8-11H2,1-3H3 Key: UHZAKWBTNFQWFQ-UHFFFAOYSA-N^Y

Sinonimi

Acetoxyketobemidone, O-Acetylketobemidone

Farmakoinformacioni podaci

Trudnoća

Pravni status

Acetoksiketobemidon je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 289,369 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[2] (ALogP)	2,4
Rastvorljivost^[3] (logS, log(mol/L))	-3,5
Polarna površina^[4] (PSA, Å²)	46,6

↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
↑ Ghose, A.K., Viswanadhan V.N., and 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. DOI:10.1021/ci000392t. PMID 11749573.
↑ 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. DOI:10.1021/jm000942e. PMID 11020286.

Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.