Betamipron

Betamipron
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	3440-28-6^Y
ATC kod	J01DH55 (WHO) (with panipenem)
PubChem	CID 71651
ChemSpider	64711^Y
UNII	3W0M245736^Y
ChEMBL	CHEMBL1231530^Y
Hemijski podaci
Formula	C₁₀H₁₁NO₃
Molarna masa	193,199
SMILES OC(=O)CC\N=C(/O)\c1ccccc1
InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)^Y Key:CWXYHOHYCJXYFQ-UHFFFAOYSA-N^Y

Betamipron je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 193,199 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	1,5
Rastvorljivost^[2] (logS, log(mol/L))	-2,2
Polarna površina^[3] (PSA, Å²)	69,9

^ 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.