Azanidazol

Azanidazol
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	G01AF13 (WHO) P01AB04 QP51AA04
PubChem	CID 6436171
ChemSpider	4940835^Y
UNII	YP2Y0DRX4S^Y
KEGG	D03028^Y
ChEMBL	CHEMBL134920^Y
Hemijski podaci
Formula	C₁₀H₁₀N₆O₂
Molarna masa	246,225
SMILES Cn1c(\C=C\C2=NC(=N)NC=C2)ncc1[N+](=O)[O-]
InChI InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+^Y Key:LHIALLMPKJMSIQ-NSCUHMNNSA-N^Y

Azanidazol je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 246,225 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,5
Rastvorljivost^[2] (logS, log(mol/L))	-2,6
Polarna površina^[3] (PSA, Å²)	111,9

^ 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.