Nikodikodein : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Nikodikodein

Nikodikodein
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	808-24-2^Y
ATC kod	none
PubChem	CID 5464304
ChemSpider	4576612^Y
Sinonimi	6-Nicotinoyldihydrocodeine
Hemijski podaci
Formula	C₂₄H₂₆N₂O₄
Molarna masa	406,474
SMILES COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@@]46CCN3C
InChI InChI=1S/C24H26N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-5,7,10,13,16-17,19,22H,6,8-9,11-12H2,1-2H3/t16-,17+,19-,22-,24+/m0/s1^Y Key:GTGRMWCOZHEYRL-LAQHPBJRSA-N^Y

Nikodikodein je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 406,474 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,8
Rastvorljivost^[2] (logS, log(mol/L))	-4,4
Polarna površina^[3] (PSA, Å²)	60,9

^ 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.