7-Acetyltaxol | CAS No. 92950-39-5

7-Acetyltaxol

Basic Information

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CAS Number

92950-39-5

Molecular Formula

C49H53NO15

Molecular Weight

895.96 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)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C

InChI

InChI=1S/C49H53NO15/c1-26-33(63-45(58)38(54)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(7,41(55)39(62-28(3)52)36(26)46(49,5)6)34(61-27(2)51)23-35-48(40,25-60-35)65-29(4)53/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1

InChIKey

QHVFIEKTXYELRR-XOVTVWCYSA-N

LogP

4.306500000000005

Topological Polar Surface Area

227.35999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 16

Complexity

1910

Synonyms & References

English

Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
7-Acetyl Paclitaxel
ACETYLTAXOL, 7-(P)
Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-tris(acetyloxy)-12-(benzoylox
N-(2-hydroxy-3-oxo-1-phenyl-3-((4,6,12b-triacetoxy-12-(benzoyloxy)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-9-
Paclitaxel
7-Acetyltaxol
7-Acetyl taxol
7-O-Acetylpaclitaxel
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-Tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-hydroxybenzenepropanoate (ACI)
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-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)
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methan
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,9,12-triacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
92950-39-5
Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR-(2aalpha,4beta,4abeta,6beta,9a(alphar*,betas*),11alpha,12alpha,12aalpha,12balpha))-
CHEMBL70999
G90889
QHVFIEKTXYELRR-XOVTVWCYSA-N

MDL Number

MFCD09264627

FAQ

What is 7-Acetyltaxol (CAS: 92950-39-5)?

7-Acetyltaxol is a semi-synthetic derivative of taxol, with the chemical formula C41H51NO13. It possesses antitumor activity. This compound is used in research and development as a potential anticancer agent.

What are the main uses of 7-Acetyltaxol (CAS: 92950-39-5)?

7-Acetyltaxol is primarily used in pharmaceutical research and development for its potential as an anticancer agent. It also serves as a structural analog in drug design and as a tool compound in biological assays.

Is 7-Acetyltaxol (CAS: 92950-39-5) safe?

7-Acetyltaxol can be considered safe when handled with appropriate precautions. However, it should be stored away from heat and light, and proper personal protective equipment should be worn to avoid skin contact and inhalation. It is essential to follow safety guidelines provided by regulatory agencies.

How should 7-Acetyltaxol (CAS: 92950-39-5) be stored?

7-Acetyltaxol should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a well-ventilated area and store it in a tightly sealed container to minimize exposure to air and moisture. Maintain a temperature range of 15-25°C and avoid humidity levels above 50%.