Hlormezanon
![]() | |
Klinički podaci | |
---|---|
Prodajno ime | Alinam, Banabil-sintyal, Banabin, Banabin-Sintyal |
Drugs.com | Monografija |
Identifikatori | |
CAS broj | 80-77-3 ![]() |
ATC kod | M03BB02 (WHO) |
PubChem | CID 2717 |
DrugBank | DB01178 ![]() |
ChemSpider | 2616 ![]() |
ChEBI | CHEBI:3619 ![]() |
ChEMBL | CHEMBL1200714 ![]() |
Hemijski podaci | |
Formula | C11H12ClNO3S |
Molarna masa | 273,736 |
SMILES
| |
InChI
| |
Fizički podaci | |
Tačka topljenja | 1.162 °C (2.124 °F) |
Hlormezanon je organsko jedinjenje, koje sadrži 11 atoma ugljenika i ima molekulsku masu od 273,736 Da.[1][2][3][4][5][6]
Osobine
Osobina | Vrednost |
---|---|
Broj akceptora vodonika | 3 |
Broj donora vodonika | 0 |
Broj rotacionih veza | 1 |
Particioni koeficijent[7] (ALogP) | 1,6 |
Rastvorljivost[8] (logS, log(mol/L)) | -2,7 |
Polarna površina[9] (PSA, Å2) | 62,8 |
Reference
- ^ Wollina U, Hipler UC, Seeling A, Oelschlager H: Investigations of interactions of chlormezanone racemate and its enantiomers on human keratinocytes and human leucoytes in vitro. Skin Pharmacol Physiol. 2005 May-Jun;18(3):132-8. PMID 15897685
- ^ Seeling A, Oelschlager H, Rothley D: [Important pharmaceutical-chemical characteristics of the central muscle relaxant chlormezanone] Pharmazie. 2000 Apr;55(4):293-6. PMID 10798243
- ^ Oelschlager H, Klinger W, Rothley D, Seeling A, Bockhard H, Hofmann B, Machts H, Riederer H, Rackur H: [Cleavage and biotransformation of the central muscle relaxant chlormezanone] Pharmazie. 1998 Sep;53(9):620-4. PMID 9770210
- ^ Gautier V, Vincon G, Demotes-Mainard F, Albin H: [Pharmacokinetics of chlormezanone in healthy volunteers] Therapie. 1990 Jul-Aug;45(4):315-9. PMID 2399514
- ^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709
. PMID 21059682. doi:10.1093/nar/gkq1126.
- ^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889
. PMID 18048412. doi:10.1093/nar/gkm958.
- ^ 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.
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
- Chlormezanone
![]() | Molimo Vas, obratite pažnju na važno upozorenje u vezi sa temama iz oblasti medicine (zdravlja). |