Spiramicin

Spiramicin
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj8025-81-8 ДаY
ATC kodJ01FA02 (WHO) QJ51FA02
PubChemCID 5356392
ChemSpider4512090 ДаY
UNII71ODY0V87H ДаY
KEGGD05908 ДаY
ChEMBLCHEMBL1256397 ДаY
Sinonimi2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6[(2S,3R,4R,5S,6R)-5[(2S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy10[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Hemijski podaci
FormulaC43H74N2O14
Molarna masa843,053
SMILES
  • COC1C(O)CC(=O)OC(C)C\C=C\C=C\C(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C
InChI
  • InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+ ДаY
  • Key:ACTOXUHEUCPTEW-OBURPCBNSA-N ДаY
Fizički podaci
Rastvorljivost u vodiInsoluble in water; Very soluble in acetonitrile and methanol; Almost completely(>99.5) in ethanol. mg/mL (20 °C)

Spiramicin je organsko jedinjenje, koje sadrži 43 atoma ugljenika i ima molekulsku masu od 843,053 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 16
Broj donora vodonika 4
Broj rotacionih veza 11
Particioni koeficijent[1] (ALogP) 2,0
Rastvorljivost[2] (logS, log(mol/L)) -5,8
Polarna površina[3] (PSA, Å2) 195,4

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

  • Spiramycin
  • p
  • r
  • u
30S
Aminoglikozidi
(Inhibitori inicijacija)
Streptomyces
Micromonospora
Tetraciklinski antibiotici
(tRNK vezivanje)
Tetraciklini
Glicilciklini
50S
Oksazolidinon
(Inhibitori inicijacije)
Peptidil transferaze
Amfenikoli
Pleuromutilini
MLS (transpeptidacija/translokacija)
Makrolidi
Linkozamidi
Streptogramini
EF-G
Steroidni antibiotici

M: BAC

bact (clas)

gr+f/gr+a(t)/gr-p(c)/gr-o

drug(J1p, w, n, m, vacc)


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Spiramicin na srodnim projektima Vikipedije:
Mediji na Ostavi
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