Milataxel

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Also Known As: Milataxel|milataxelum|Milataxel [INN]|Milataxel (oral)|MAC-321|TL139 cpd|MILATAXEL [USAN]|MAC 321|Milataxel (oral), Taxolog|MAC321|TL-139|TL-139 (oral), Taxolog/Wyeth|TL139|MAC-321 (oral), Taxolog/Wyeth|TL-00139 (oral), Taxolog/Wyeth|TL-139 (injectable), Taxolog/Wyeth|MAC-321 (injectable), Taxolog/Wyeth|TL-00139 (injectable), Taxolog/Wyeth|M-10|[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate|((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-((2R,3R)-3-(furan-2-yl)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)propanoyl)oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) benzoate|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl (alphaR,betaR)-beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-2-furanpropanoate|(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (alphaR,betaR)-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-2-furanpropanoate|(alphaR,betaR)beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-alpha-hydroxy-2-furanpropanoic acid, (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester|(aR,ssR)ss-[[(1,1-Dimethylethoxy)carbonyl]amino]-a-hydroxy-2-furanpropanoic acid, (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester; MAC 321|1,10beta-Dihydroxy-9-oxo-5beta,20-epoxy-3zeta-tax-11-ene-2alpha,4,7beta,13alpha-tetrayl 4-acetate 2-benzoate 13-((2R,3R)-3-(tert-butoxycarbonylamino)-3-(furan-2-yl)-2-hydroxypropanoate) 7-propanoate|2-Furanpropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaR)-|2-Furanpropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaR)-|4-(Acetyloxy)-13alpha-{[(2R,3R)-3-[(tert-butoxycarbonyl)amino]-3-(furan-2-yl)-2-hydroxypropanoyl]oxy}-1,10beta-dihydroxy-9-oxo-7beta-(propanoyloxy)-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate|5,20-epoxy-1,2,4,7,10,13-hexahydroxytax-11-en-9-one 4-aceetate 2-benzoate 7-propionate 13-ester with N-tert-butoxycarbonyl-3-(2-furyl)isoserine

Molecular Formula	C44H55NO16
Molecular Weight	853.3521 g/mol
LogP	3.8135
Topological Polar Surface Area	243.66 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	16
Rotatable Bonds	10
Exact Mass	853.3521
Monoisotopic Mass	853.3521
Heavy Atoms	61
Complexity	2072.215

Chemical Identifiers

CAS Number	352425-37-7
SMILES	CCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)[C@@H]([C@H](C6=CC=CO6)NC(=O)OC(C)(C)C)O)C)O)C)OC(=O)C