Kodoksim

Kodoksim
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	7125-76-0^Y
ATC kod	none
PubChem	CID 9570253
ChemSpider	7844721^Y
UNII	JT5I2F57F7^Y
KEGG	D03581^Y
Sinonimi	Codoxime
Hemijski podaci
Formula	C₂₀H₂₄N₂O₅
Molarna masa	372,415
SMILES COc1ccc2C[C@@H]3[C@@H]4CC\C(=N/OCC(=O)O)\[C@@H]5Oc1c2[C@]45CCN3C
InChI InChI=1S/C20H24N2O5/c1-22-8-7-20-12-4-5-13(21-26-10-16(23)24)19(20)27-18-15(25-2)6-3-11(17(18)20)9-14(12)22/h3,6,12,14,19H,4-5,7-10H2,1-2H3,(H,23,24)/b21-13+/t12-,14+,19-,20-/m0/s1^Y Key:WKJYCUVUZIIMJA-OIBQYEROSA-N^Y

Kodoksim je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 372,415 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	-1,5
Rastvorljivost^[2] (logS, log(mol/L))	-3,1
Polarna površina^[3] (PSA, Å²)	80,6

^ 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.