Nikomorfin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Nikomorfin

Nikomorfin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	639-48-5^Y
ATC kod	N02AA04 (WHO)
PubChem	CID 5362460
ChemSpider	4515048^Y
UNII	Y95FRL95FW^Y
KEGG	D07285^Y
Sinonimi	3,6-Dinicotinoylmorphine
Hemijski podaci
Formula	C₂₉H₂₅N₃O₅
Molarna masa	495,526
SMILES CN1CC[C@@]23[C@H]4Oc5c(OC(=O)c6cccnc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)c7cccnc7)c35
InChI InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29+/m0/s1^Y Key:HNDXBGYRMHRUFN-PIGVTTOLSA-N^Y

Nikomorfin je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 495,526 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	2,8
Rastvorljivost^[2] (logS, log(mol/L))	-5,8
Polarna površina^[3] (PSA, Å²)	90,8

^ 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.