Trimetobenzamid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Trimetobenzamid

Trimetobenzamid
Klinički podaci

Prodajno ime	Ametik hydrochloride, Benzacot, Nauseton, Stemetic
Drugs.com	Monografija
Način primene	Oralno, intramaskularno, rektalno
Farmakokinetički podaci
Poluvreme eliminacije	7 - 9 h

Identifikatori
CAS broj	138-56-7^Y
ATC kod	None
PubChem	CID 5577
DrugBank	DB00662^Y
ChemSpider	5375^Y
KEGG	C07178^Y
ChEMBL	CHEMBL1201256^Y
Hemijski podaci
Formula	C₂₁H₂₈N₂O₅
Molarna masa	388,457
SMILES COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1
InChI InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)^Y Key:FEZBIKUBAYAZIU-UHFFFAOYSA-N^Y

Fizički podaci
Tačka topljenja	1.887 °C (3.429 °F)

Trimetobenzamid je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 388,457 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	10
Particioni koeficijent^[3] (ALogP)	2,7
Rastvorljivost^[4] (logS, log(mol/L))	-4,4
Polarna površina^[5] (PSA, Å²)	69,3

^ 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. уреди
^ 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. уреди
^ 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. уреди
^ 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. уреди

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.