7-epi-Taxol
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7-epi-Taxol
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CAS No:
105454-04-4
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Formula:
C47H51NO14
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Chemical Name:
7-epi-Taxol
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Synonyms:
Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,(2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,(αR,βS)-;Benzenepropanoic acid,β-(benzoylamino)-α-hydroxy-,6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester,[2aR-[2aα,4α,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-;7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.;7-epi-Taxol;7-Epitaxol;Epitaxol;7-Epipaclitaxel;7-epi-Paclitaxel
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CAS No:
Description
Off-White to Pale Yellow Solid
A cyclodecane isolated from the bark of the Pacific yew tree, TAXUS BREVIFOLIA. It stabilizes MICROTUBULES in their polymerized form leading to cell death.
Characteristics
221
2.5
1.39±0.1 g/cm3 (20 ºC 760 Torr)
168-170°C
957.1±65.0 °C(Predicted)
532.6±34.3 °C
1.637
-20°C Freezer, Under Inert Atmosphere
0mmHg at 25°C
Drug Information
Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)|Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES. (See all compounds classified as Tubulin Modulators.)
7 epi Taxol
7-epi-Taxol Use and Manufacturing
The compund has been isolated from Taxus brevifolia. It is an antineoplastic that is currently being used in cancer research.
Computed Properties
Molecular Weight:853.9
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:14
Exact Mass:853.33095530
Monoisotopic Mass:853.33095530
Topological Polar Surface Area:221
Heavy Atom Count:62
Complexity:1790
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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