Docetaxel

Catalog Number	ACM114977285-3
CAS Number	114977-28-5
Synonyms	Docetaxel anhydrous
IUPAC Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Weight	807.9
Molecular Formula	C43H53NO14
Canonical SMILES	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
InChI	InChI=1S/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
InChI Key	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Purity	98%+(HPLC)
Solubility	Soluble in ethanol, benzene and other organic solvents.
Appearance	White crystalline powder
Storage	Store at 4 °C, sealed, away from light (valid for 2 years under this condition).
Complexity	1660
Exact Mass	807.34660536
Heavy Atom Count	58
Isomeric SMILES	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Monoisotopic Mass	807.34660536
Topological Polar Surface Area	224Ų

Custom Q&A

What is the chemical formula of Docetaxel?

The chemical formula of Docetaxel is C43H53NO14.

What is the melting point of Docetaxel?

The melting point of Docetaxel is 186-192°C.

What is the main indication for using Docetaxel?

Docetaxel is used to treat locally advanced or metastatic breast cancer.

What is the mechanism of action of Docetaxel?

Docetaxel promotes microtubule stabilization and inhibits depolymerization, blocking cells in the G2 and M stages, and inhibiting the mitosis and proliferation of cancer cells.

How is Docetaxel primarily excreted from the body?

Docetaxel and its metabolites are mainly excreted from feces.

What are some of the adverse reactions associated with Docetaxel?

Adverse reactions of Docetaxel include bone marrow suppression, allergic reactions, skin reactions, fluid retention, gastrointestinal reactions, neurotoxicity, and cardiovascular adverse reactions.

What are the contraindications for using Docetaxel?

Contraindications for using Docetaxel include severe allergic sensitivity to the drug, low white blood cell count, and severe liver damage.

How should pregnant women be advised regarding the use of Docetaxel?

Pregnant women should be informed of potential fetal damage and risk of miscarriage when using Docetaxel, and women who may become pregnant during treatment should use birth control.

How is Docetaxel metabolized in the body?

Docetaxel is metabolized by CYP3A4 isoenzymes.

What is the main safety concern associated with using Docetaxel?

The main safety concern with using Docetaxel is the risk of bone marrow suppression, particularly neutropenia.

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