Cefsulodin

Cefsulodin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	52152-93-9^Y
ATC kod	J01DD03 (WHO)
PubChem	CID 5284530
ChemSpider	4447588^Y
UNII	OV42LHE42B^Y
KEGG	D02005^Y
ChEMBL	CHEMBL1617285^Y
Hemijski podaci
Formula	C₂₂H₂₀N₄O₈S₂
Molarna masa	532,546
SMILES OC(=N)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](\N=C(/O)\C(c4ccccc4)S(=O)(=O)[O-])C3=O)C(=O)O)cc1
InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17?,21-/m1/s1^Y Key:SYLKGLMBLAAGSC-IKZMBGHXSA-N^Y

Cefsulodin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 532,546 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	11
Broj donora vodonika	4
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	-0,7
Rastvorljivost^[2] (logS, log(mol/L))	-4,6
Polarna površina^[3] (PSA, Å²)	229,0

^ 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.