Movatterモバイル変換

Bambuterol

С Википедије, слободне енциклопедије

Bambuterol
Klinički podaci

Prodajno ime	Bambec, Oxeol
Drugs.com	Monografija
Način primene	Oralno
Farmakokinetički podaci
Poluvreme eliminacije	13 h

Identifikatori
CAS broj	81732-46-9^Y
ATC kod	R03CC12 (WHO)
PubChem	CID54766
DrugBank	DB01408^Y
ChemSpider	49466^Y
ChEBI	CHEBI:553827^Y
ChEMBL	CHEMBL521589^Y
Hemijski podaci
Formula	C₁₈H₂₉N₃O₅
Molarna masa	367,440
SMILES CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3^Y Key:ANZXOIAKUNOVQU-UHFFFAOYSA-N^Y

Bambuterol jeorgansko jedinjenje, koje sadrži 18atoma ugljenika i imamolekulsku masu od 367,440Da.^[1]^[2]

Osobine

[уреди |уреди извор]

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	8
Particioni koeficijent^[3] (ALogP)	1,7
Rastvorljivost^[4] (logS, log(mol/L))	-3,4
Polarna površina^[5] (PSA,Å²)	91,3

Reference

[уреди |уреди извор]

^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, A. C.; Wishart, D. S. (2011).„DrugBank 3.0: A comprehensive resource for 'Omics' research on drugs”.Nucleic Acids Research.39 (Database issue): D1035—D1041.PMC 3013709 .PMID 21059682.doi:10.1093/nar/gkq1126.
^Wishart, David S.; Knox, Craig; Guo, An Chi; Cheng, Dean; Shrivastava, Savita; Tzur, Dan; Gautam, Bijaya; Hassanali, Murtaza (2008).„DrugBank: A knowledgebase for drugs, drug actions and drug targets”.Nucleic Acids Research.36 (Database issue): D901—D906.PMC 2238889 .PMID 18048412.doi:10.1093/nar/gkm958.
^Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”.The Journal of Physical Chemistry A.102 (21): 3762—3772.Bibcode:1998JPCA..102.3762G.doi:10.1021/jp980230o.
^Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”.Journal of Chemical Information and Computer Sciences.41 (6): 1488—1493.PMID 11749573.doi:10.1021/ci000392t.
^Ertl, Peter; Rohde, Bernhard; Selzer, Paul (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”.Journal of Medicinal Chemistry.43 (20): 3714—3717.PMID 11020286.doi:10.1021/jm000942e.