2'-Acetyltaxol

Basic Information

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CAS Number

92950-40-8

Molecular Formula

C49H53NO15

Molecular Weight

895.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChI

InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)

InChIKey

IHVCSECZNFZVKP-UHFFFAOYSA-N

LogP

4.306500000000003

Topological Polar Surface Area

227.35999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 16

Complexity

1910

Synonyms & References

English

Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,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-ylester, (aR,bS)-
2'-ACETYLTAXOL
ACETYLTAXOL, 2'-(SH)
Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,...
Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoylo
2',10-diacetyltaxane
2'-acetylpaclitaxel
2'-O-acetyl-paclitaxel
2'-O-Acetyltaxol
ACETYLTAXOL,2'
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
Benzenepropanoic acid, α-(acetyloxy)-β-(benzoylamino)-, 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,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (ZCI)
2′-Acetylpaclitaxel
2′-Acetyltaxol
Paclitaxel-2′-acetate
92950-40-8
2a(2)-Acetyltaxol
Benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, 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
Benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, 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)
DTXSID001317325
2'-Acetyltaxol
Taxol 2'-acetate
SCHEMBL15381848
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CHEMBL302351

MDL Number

MFCD01075775

FAQ

What is 2'-Acetyltaxol (CAS: 92950-40-8)?

2'-Acetyltaxol is an acetylated derivative of taxol, a natural product extracted from yew trees. It has a chemical formula of C42H51NO13 and is used in pharmaceutical research and development for its potential therapeutic properties.

What are the main uses of 2'-Acetyltaxol (CAS: 92950-40-8)?

2'-Acetyltaxol is primarily used in cancer research and drug development. It is also explored for its potential anticancer properties and as a candidate for further clinical studies in oncology.

Is 2'-Acetyltaxol (CAS: 92950-40-8) safe?

2'-Acetyltaxol is generally considered safe when handled according to proper laboratory protocols. However, users should follow all safety guidelines, wear appropriate personal protective equipment, and ensure proper ventilation. Toxicological studies are ongoing to fully assess its safety profile.

How should 2'-Acetyltaxol (CAS: 92950-40-8) be stored?

2'-Acetyltaxol should be stored in a cool, dry place at a temperature not exceeding 25°C. It should be protected from light and humidity. Use a tightly sealed container to minimize exposure to environmental factors.