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Docetaxel

Taxotere

CAS: 114977-28-5

Molecular Formula: C43H53NO14

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Docetaxel - Names and Identifiers

Name Taxotere
Synonyms TAXOTERE
Taxotere
docetaxel
Docetaxel
Decetaxel
Taxotere anhydrous
Docetaxel Anhydrous
Decetaxel anhydrous
n-debenzoyl-n-tert-butoxycarbonyl-10-deacetyl taxol
N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyl taxol
Docetaxel N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyl taxol
)benz(1,2-b)oxet-9-ylester,(2ar-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alph
(2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
(2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
(1beta,2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-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-4,6,11-trihydroxy-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, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-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-4,6,11-trih ydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-
CAS 114977-28-5
EINECS 601-339-2
InChI InChI=1/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41-,42-,43+/m0/s1
InChIKey BEDLLNJKXXVTSX-LWWLJZAUSA-N

Docetaxel - Physico-chemical Properties

Molecular FormulaC43H53NO14
Molar Mass807.88
Density1.38
Melting Point186-192°C (dec.)
Boling Point900.5±65.0 °C(Predicted)
Specific Rotation(α)-36 º (c=0.74,EtOH)
Water SolubilitySoluble in dimethyl sulfoxide and ethanol. Insoluble in water.
Solubility Soluble in ethanol, acetone, ether, benzene and other organic solvents.
AppearanceWhite crystalline powder
ColorWhite
Merck14,3397
pKa11.20±0.46(Predicted)
Storage ConditionSealed in dry,Store in freezer, under -20°C
StabilityStable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months.
Refractive Index1.618
MDLMFCD00800737
Physical and Chemical PropertiesMelting point 232°C
specific optical rotation -36 ° (c = 0.74,EtOH)
UseAntineoplastic botanicals for the treatment of metastatic breast cancer and non-small cell lung cancer

Docetaxel - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk CodesR36/37/38 - Irritating to eyes, respiratory system and skin.
R61 - May cause harm to the unborn child
Safety DescriptionS26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37 - Wear suitable protective clothing and gloves.
S53 - Avoid exposure - obtain special instructions before use.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs1544
WGK Germany3
RTECSDA4172750
HS Code29322090
Hazard Class6.1(b)
Packing GroupIII
ToxicityLD50 intravenous in dog: 2500ug/kg

Docetaxel - Reference

Reference
Show more
1. Li Fei Wang Jianzhu Bi Yanping. Preparation of docetaxel liposomes by freeze-drying method of tert-butanol-water co-solvent system [J]. Chinese Journal of Pharmacy 2016 51(004):293-297.
2. Li Fei, Zhang Na, Hao Jifu, et al. Preparation and characterization of docetaxel nanoliposomes [J]. Journal of Taishan Medical College, 2015, 36(010):1096-1099.
3. [IF = 1.871] Lining Wang et al."Establishment of a first-line second-line treatment model for human pulmonary adenocarcinoma." Oncol Lett. 2016 Dec;12(6):4461-4466
4. [IF = 6.419] Lili Ren et al."RGD-targeted redox responsive nano micelle: co-loading docetaxel and indocyanine green to treat the tumor." Drug Deliv. 2021;28(1):2024-2032
5. [IF = 2.441] Ha Yinuer et al."Herb-Drug Interaction Potential of Licorice Extract and Paclitaxel: A Pharmacokinetic Study in Rats." Eur J Drug Metaph. 2020 Apr;45(2):257-264
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