Tesetaxel

[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate

Also Known As: Tesetaxel|tesetaxelum|Tesetaxel [INN]|DJ-927|TESETAXEL [WHO-DD]|DJ927|DJ 927|DJ 927;|J1.845.107G|Z-3104|[(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoropyridin-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate|((2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-((dimethylamino)methyl)-18-((2R,3S)-3-(3-fluoropyridin-2-yl)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)propanoyl)oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo(14.3.1.02,6.07,14.010,13)icos-1(19)-en-15-yl) benzoate|(2AS,2BR,3S,4S,6S,8AR,10R,11AS,11BR,13AR)-2A-ACETOXY-6-(((2R,3S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-FLUOROPYRIDIN-2-YL)-2-HYDROXYPROPANOYL)OXY)-10-((DIMETHYLAMINO)METHYL)-4-HYDROXY-7,11B,14,14-TETRAMETHYL-2A,2B,3,4,5,6,8A,11A,11B,12,13,13A-DODECAHYDRO-2H-4,8-METHANOOXETO[3'',2'':3',4']BENZO[1',2':3,4]CYCLODECA[1,2-D][1,3]DIOXOL-3-YL BENZOATE|(2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-(Acetyloxy)-6-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-3-(3-fluoropyridin-2-yl)-2-hydroxypropanoyl]oxy}-10-[(dimethylamino)methyl]-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro-2H,10H-4,8-methano[1,3]dioxolo[3,4]cyclodeca[1,2-d][1]benzoxet-3-yl benzoate|(2R,3S)-2-Hydroxy-3-(N-Boc-amino)-3-(3-fluoropyridine-2-yl)propionic acid 1-hydroxy-2alpha-(benzoyloxy)-4-acetoxy-5beta,20-epoxy-9beta,10beta-[[(1S)-2-(dimethylamino)ethylidene]dioxy]taxa-11-ene-13alpha-yl ester|(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-(acetyloxy)-18-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluoropyridin-2-yl)-2-hydroxypropanoyl]oxy}-4-[(dimethylamino)methyl]-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl benzoate|2-Pyridinepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-3-fluoro-alpha-hydroxy-, (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-(acetyloxy)-3-(benzoyloxy)-10-((dimethylamino)methyl)-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro-4-hydroxy-7,11b,14,14-tetramethyl-4,8-methano-2H-oxeto(3'',2'':3',4')benzo(1',2':3,4)cyclodeca(1,2-d)(1,3)dioxol-6-yl ester, (alphaR,betaS)-

Molecular Formula	C46H60FN3O13
Molecular Weight	881.411 g/mol
LogP	4.5646
Topological Polar Surface Area	201.51 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	15
Rotatable Bonds	10
Exact Mass	881.411
Monoisotopic Mass	881.411
Heavy Atoms	63
Complexity	2128.0322

Chemical Identifiers

CAS Number	333754-36-2
SMILES	CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C