docetaxel trihydrate

chemical compound

Wikidata entity: Q27126905

C₄₃H₅₉NO₁₇ (P274)

Quantities

P2067mass861.378299

P3780 active ingredient in ... Q29005723 (Docefrez) Docefrez
P3780 active ingredient in ... Q29005724 (Docetaxel Accord) Docetaxel Accord
P3780 active ingredient in ... Q29005725 (Docetaxel Kabi) Docetaxel Kabi
P3780 active ingredient in ... Q29005728 (Docetaxel Teva) Docetaxel Teva
P3780 active ingredient in ... Q29005730 (Docetaxel Teva Pharma) Docetaxel Teva Pharma
P3780 active ingredient in ... Q29005731 (Docetaxel Winthrop) Docetaxel Winthrop
P3780 active ingredient in ... Q29006538 (Taxespira) Taxespira
P3780 active ingredient in ... Q29006539 (Taxotere) Taxotere
P233 canonical SMILES String 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.O.O.O ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String O.O.O.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6=CC=CC=C6)C(C)=C([C@@H](O)C3=O)C5(C)C ???
P2175 medical condition treated ... Q1671685 (invasive ductal carcinoma) invasive ductal carcinoma
P2175 medical condition treated ... Q3658562 (non-small-cell lung carcinoma) non-small-cell lung carcinoma
P2175 medical condition treated ... Q18348812 (head and neck squamous cell carcinoma) head and neck squamous cell carcinoma
P2175 medical condition treated ... Q18556047 (gastric adenocarcinoma) gastric adenocarcinoma
P2175 medical condition treated ... Q28757362 (tongue squamous cell carcinoma) tongue squamous cell carcinoma
P2175 medical condition treated ... Q56014469 (bone sarcoma) bone sarcoma
P2175 medical condition treated ... Q504775 (bladder cancer) bladder cancer
P1748 NCI Thesaurus ID String C1526 ???
P361 part of ... Q22274511 (response to docetaxel trihydrate) response to docetaxel trihydrate
P769 significant drug interaction ... Q407883 (ketoconazole) ketoconazole
P769 significant drug interaction ... Q410061 (amiodarone) amiodarone
P769 significant drug interaction ... Q118551 (clarithromycin) clarithromycin
P769 significant drug interaction ... Q5908266 (idelalisib) idelalisib
P769 significant drug interaction ... Q412236 (voriconazole) voriconazole
P769 significant drug interaction ... Q422618 (ritonavir) ritonavir
P279 subclass of ... Q11173 (chemical compound) chemical compound
P2868 subject has role ... Q2853144 (antineoplastic) antineoplastic
P2868 subject has role ... Q7251505 (protein synthesis inhibitor) protein synthesis inhibitor
P2868 subject has role ... Q50430329 (tubulin modulators) tubulin modulators
P2275 World Health Organisation international non-proprietary name Monolingualtext docetaxel ???
External Ids
P231CAS Registry Number148408-66-6
P683ChEBI ID59809
P592ChEMBL IDCHEMBL3545252
P661ChemSpider ID130580
P8494DSSTOX compound identifierDTXCID10820094
P3117DSSTox substance IDDTXSID80872444
P232EC number642-361-2
P2566ECHA Substance Infocard ID100.170.159
P234InChIInChI=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
P235InChIKeyXCDIRYDKECHIPE-QHEQPUDQSA-N
P665KEGG IDD02165
P486MeSH descriptor IDC067311
P2840NSC number759850
P11199Probes And Drugs IDPD051325
P662PubChem CID148123
P1579Reaxys registry number10054412
P3345RxNorm CUI72962
P2877SureChEMBL ID189599
P11089UniChem compound ID1101946
P652UNII15H5577CQD

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