Benzatin benzilpenicilin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Benzatin benzilpenicilin

Benzatin benzilpenicilin
Klinički podaci

Drugs.com	benzylpenicillin.html Monografija
Identifikatori
CAS broj	1538-09-6^Y
ATC kod	J01CE08 (WHO)
PubChem	CID 15232
UNII	SSZ1S4I0US^Y
ChEMBL	CHEMBL1200651^Y
Hemijski podaci
Formula	C₄₈H₅₆N₆O₈S₂
Molarna masa	909,124
SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C(CNCc7ccccc7)NCc8ccccc8
InChI InChI=1S/2C16H18N2O4S.C16H20N2/c21-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h23-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1^Y Key:BVGLIYRKPOITBQ-ANPZCEIESA-N^Y

Benzatin benzilpenicilin je organsko jedinjenje, koje sadrži 48 atoma ugljenika i ima molekulsku masu od 909,124 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	12
Broj donora vodonika	6
Broj rotacionih veza	15
Particioni koeficijent^[1] (ALogP)	-0,6
Rastvorljivost^[2] (logS, log(mol/L))	-14,0
Polarna površina^[3] (PSA, Å²)	248,1

^ 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.
^ 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.