Temocilin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Temocilin

Temocilin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	66148-78-5^Y
ATC kod	J01CA17 (WHO)
PubChem	CID 171758
ChemSpider	150149^Y
UNII	03QB156W6I^Y
KEGG	D06064^Y
ChEBI	CHEBI:51817^Y
Hemijski podaci
Formula	C₁₆H₁₈N₂O₇S₂
Molarna masa	414,453
SMILES CO[C@@]1(\N=C(/O)\C(C(=O)O)c2ccsc2)[C@H]3SC(C)(C)[C@@H](N3C1=O)C(=O)O
InChI InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16+/m0/s1^Y Key:BVCKFLJARNKCSS-BBDMCZBPSA-N^Y

Temocilin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 414,453 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	3
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	1,2
Rastvorljivost^[2] (logS, log(mol/L))	-3,9
Polarna površina^[3] (PSA, Å²)	190,3

^ 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.