Iprazohrom

Iprazohrom

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	7248-21-7^Y
ATC kod	N02CX03 (WHO)
PubChem	CID 6381821
UNII	903A9K181P^Y
KEGG	D07297^Y
Sinonimi	[(3-hydroxy-1-isopropyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea
Hemijski podaci
Formula	C12H16N4O3
Molarna masa	264,280
SMILES CC(C)N1CC(O)C2=CC(=NNC(=O)N)C(=O)C=C12
InChI InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,18H,5H2,1-2H3,(H3,13,15,19)^Y Key:XZKVIDLLLOUTSS-UHFFFAOYSA-N^Y

Iprazohrom je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 264,280 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	3
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	-0,4
Rastvorljivost[2] (logS, log(mol/L))	-1,5
Polarna površina[3] (PSA, Å^2)	108,0

Reference

1. 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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• Iprazochrome

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