Discuss This Drug

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

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

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

core#notation
CHEBI:59809
active_ingredient_strength
80 mg/8mL
nui
N0000175592
pharm_class_epc
Microtubule Inhibitor [EPC]
pharm_class
Microtubule Inhibition [PE]
pharm_class_pe
Microtubule Inhibition [PE]
active_ingredient_name
DOCETAXEL ANHYDROUS
spl_set_id
a630937b-8369-74ad-b68a-f940eb16ff0f
upc
0370121122319
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
route
INTRAVENOUS
package_ndc
65129-1141-1
package_description
6 kg in 1 BAG (65129-1141-1)
spl_id
350853a3-6178-4d83-b5c4-75b3e4c1799d
listing_expiration_date
20241231
marketing_start_date
20160124
labeler_name
Zhuhai Beihai Biotech Co., Ltd.
application_number
ANDA215744
rxcui
2697044
package_marketing_start_date
24-JAN-16
manufacturer_name
Zhuhai Beihai Biotech Co., Ltd.
unii
699121PHCA
oboInOwl#hasOBONamespace
chebi_ontology
generic_name
Docetaxel Trihydrate
brand_name
BEIZRAY
brand_name_base
BEIZRAY
oboInOwl#hasDbXref
KEGG:D02165
DRON_00010000
72962
oboInOwl#id
CHEBI:59809
dosage_form
INJECTION, SOLUTION, CONCENTRATE
product_type
BULK INGREDIENT
marketing_category
BULK INGREDIENT
product_ndc
54893-0008
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
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