Docetaxel
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Docetaxel
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CAS No:
125354-16-7
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Formula:
C45H55NO15
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Chemical Name:
Docetaxel
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Synonyms:
10-Acetyldocetaxel;10-Acetyltaxotere;Docetaxal;PNU 101383;ACETYLDOCETAXEL, 10-(P);DocetaxelN-Debenzoyl-N-(tert-butoxycarbonyl)taxol;DOCETAXOL;Docetaxel
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CAS No:
Description
Docetaxel is available in single-dose vials of 20 mg/0.5 mLand 80 mg/2 mL for IV administration in the treatment of breast, NSCLC, and prostate cancers. It has also been utilizedin non–FDA-approved treatment of head, neck, gastric,bladder, and refractory ovarian cancers. Docetaxel is highly plasma protein bound (80%) andwidely distributed with the highest concentration in the hepatobiliarysystem, but it does not appear to cross the bloodbrainbarrier.
Characteristics
231
7.19
1.36±0.1 g/cm3(Predicted)
201-203 °C(Solv: methanol (67-56-1))
901.4±65.0 °C(Predicted)
499.0±34.3 °C
1.606
5.54E-35mmHg at 25°C
Docetaxel Use and Manufacturing
Docetaxal is an impurity of Docetaxel (D494420), a semisynthetic derivative of Paclitaxel (P132500). Docetaxel is an antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin.
Computed Properties
Molecular Weight:849.9
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:15
Exact Mass:849.35717005
Monoisotopic Mass:849.35717005
Topological Polar Surface Area:231
Heavy Atom Count:61
Complexity:1770
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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