Izosorbid mononitrat

Izosorbid mononitrat
Klinički podaci
Prodajno ime	Conpin, Conpin Retardkaps, Corangin, Corangin Sr
Drugs.com	mononitrate.html Monografija
Način primene	Oralno
Farmakokinetički podaci
Poluvreme eliminacije	5 h
Izlučivanje	Renalno (96%)
Identifikatori
CAS broj	16051-77-7
ATC kod	C01DA14 (WHO)
PubChem	CID 27661
DrugBank	DB01020
ChemSpider	25736
KEGG	C07714
ChEBI	CHEBI:6062
ChEMBL	CHEMBL1311
Hemijski podaci
Formula	C6H9NO6
Molarna masa	191,139
	SMILES [H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O; ;
	InChI InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1 ; Key:YWXYYJSYQOXTPL-SLPGGIOYSA-N ;
Fizički podaci
Tačka topljenja	88—91 °C (190—196 °F)

Izosorbid mononitrat je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 191,139 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	2
Particioni koeficijent^[3] (ALogP)	1,0
Rastvorljivost^[4] (logS, log(mol/L))	-0,5
Polarna površina^[5] (PSA, Å²)	93,7

Reference

^ 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.