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docetaxel trihydrate

CHEBI:CHEBI_59809

Definition

The trihydrate form of docetaxel. It is used for the treatment of breast, ovarian, and non-small cell lung cancer, and with prednisone or prednisolone in hormone-refractory metastatic prostate cancer.

Chemical Information

Molecular Formula
C43H59NO17
Molecular Mass
861.92510
Charge
0
SMILES
O.O.O.[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChI
InChI=1S/C43H53NO14.3H2O/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);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
InChIKey
XCDIRYDKECHIPE-QHEQPUDQSA-N

Alternative Names

  • 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3)
  • docetaxel
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel trihydrate
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol trihydrate

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
KEGG:D02165
DRON_00010000
72962
core#notation
CHEBI:59809

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
KEGG:D02165
DRON_00010000
72962
oboInOwl#id
CHEBI:59809
core#notation
CHEBI:59809
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_35610
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_4672
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_8602
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_113875
owl#annotatedSource
t256017
owl#someValuesFrom
t3077770