Tesetaksel

Tesetaksel
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	333754-36-2^Y
ATC kod	none
PubChem	CID 6918574
UNII	UG97LO5M8Y^Y
Hemijski podaci
Formula	C₄₆H₆₀FN₃O₁₃
Molarna masa	881,979
SMILES CN(C)C[C@@H]1O[C@H]2[C@@H](O1)[C@@]3(C)CC[C@H]4OC[C@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5ccccc5)[C@@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](\N=C(/O)\OC(C)(C)C)c7ncccc7F)C(=C2C6(C)C)C
InChI InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44-,45+,46-/m0/s1^Y Key:MODVSQKJJIBWPZ-PFDCKTCWSA-N^Y

Tesetaksel je organsko jedinjenje, koje sadrži 46 atoma ugljenika i ima molekulsku masu od 881,979 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	16
Broj donora vodonika	3
Broj rotacionih veza	15
Particioni koeficijent^[1] (ALogP)	4,6
Rastvorljivost^[2] (logS, log(mol/L))	-8,0
Polarna površina^[3] (PSA, Å²)	205,0

^ 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.