Batoprazin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Batoprazin

Batoprazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	105685-11-8^Y
ATC kod	none
PubChem	CID 184839
ChemSpider	160706^Y
UNII	EZY3PL8Q0M^Y
Sinonimi	8-(1-piperazinyl)coumarin; 8-(1-piperazinyl)-2H-
Hemijski podaci
Formula	C₁₃H₁₄N₂O₂
Molarna masa	230,262
SMILES O=C1Oc2c(C=C1)cccc2N3CCNCC3
InChI InChI=1S/C13H14N2O2/c16-12-5-4-10-2-1-3-11(13(10)17-12)15-8-6-14-7-9-15/h1-5,14H,6-9H2^Y Key:MTYYDFXUUJQQRS-UHFFFAOYSA-N^Y

Batoprazin je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 230,262 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,5
Rastvorljivost^[2] (logS, log(mol/L))	-2,0
Polarna površina^[3] (PSA, Å²)	41,6

^ 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.

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.