Karumonam

Karumonam

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	87638-04-8^Y
ATC kod	J01DF02 (WHO)
PubChem	CID 6857983
ChemSpider	5257278^Y
UNII	486890PI06^Y
ChEMBL	CHEMBL1256767^Y
Hemijski podaci
Formula	C12H14N6O10S2
Molarna masa	466,404
SMILES OC(=O)CO\N=C(\C(=N\[C@H]1[C@@H](COC(=N)O)N(C1=O)S(=O)(=O)O)\O)/C2=CSC(=N)N2
InChI InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7+/t5-,8+/m1/s1^Y Key:UIMOJFJSJSIGLV-PDWQJGMQSA-N^Y

Karumonam je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 466,404 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	15
Broj donora vodonika	7
Broj rotacionih veza	10
Particioni koeficijent[1] (ALogP)	-1,6
Rastvorljivost[2] (logS, log(mol/L))	-1,9
Polarna površina[3] (PSA, Å^2)	289,0

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

• Carumonam

Molimo Vas, obratite pažnju na važno upozorenje u vezi sa temama iz oblasti medicine (zdravlja).