Cefatrizin

Cefatrizin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	64217-62-5^Y
ATC kod	J01DB07 (WHO)
PubChem	CID 6410758
ChemSpider	4918615^Y
UNII	8P4W949T8K^Y
KEGG	D02711^Y
ChEMBL	CHEMBL1095284^Y
Hemijski podaci
Formula	C₁₈H₁₈N₆O₅S₂
Molarna masa	462,503
SMILES N[C@@H](\C(=N\[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSc3cnn[nH]3)\O)c4ccc(O)cc4
InChI InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1^Y Key:UOCJDOLVGGIYIQ-PBFPGSCMSA-N^Y

Cefatrizin je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 462,503 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	11
Broj donora vodonika	5
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	-2,1
Rastvorljivost^[2] (logS, log(mol/L))	-3,5
Polarna površina^[3] (PSA, Å²)	228,6

^ 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.