docetaxel (Q420436)

imported from Wikimedia project

has use

medication

0 references

chemical structure

Docetaxel.svg
2,102 × 1,259; 39 KB

1 reference

German Wikipedia

image of molecular model or crystal lattice model

Docetaxel3D.png
1,000 × 726; 272 KB

depicts

ball-and-stick model

0 references

mass

807.347 dalton

1 reference

4-(Acetyloxy)-13-[(3-{[tert-butoxy(hydroxy)methylidene]amino}-2-hydroxy-3-phenylpropanoyl)oxy]-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

docetaxel (English)

18 November 2016

2 references

based on heuristic

2 references

1 reference

C₄₃H₅₃NO₁₄

1 reference

docetaxel (English)

18 November 2016

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

1 reference

docetaxel (English)

18 November 2016

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

1 reference

European Medicines Agency product number

docetaxel (English)

18 November 2016

1 reference

EMEA/H/C/002317

reference URL

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/002317/human_med_001538.jsp

22 March 2017

found in taxon

Penicillium ubiquetum

1 reference

Metabolomics-Driven Discovery of Meroterpenoids from a Mussel-Derived Penicillium ubiquetum

medical condition treated

1 reference

13 December 2016

1 reference

13 December 2016

1 reference

connective tissue benign neoplasm

13 December 2016

1 reference

13 December 2016

1 reference

non-small-cell lung carcinoma

13 December 2016

1 reference

13 December 2016

1 reference

13 December 2016

1 reference

physically interacts with

13 December 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6809

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

17 August 2016

legal status (medicine)

boxed warning

1 reference

reference URL

imported from Wikimedia project

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

pregnancy category

US pregnancy category D

1 reference

English Wikipedia

LiverTox likelihood score

LiverTox toxicity likelihood category C

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Docetaxel

13 October 2020

0 references

1 reference

DOCEtaxel

Institute for Safe Medication Practices

subject named as

docetaxel

1 reference

reference URL

https://www.ismp.org/recommendations/tall-man-letters-list

2 September 2022

0 references

0 references

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Docetaxel

0 references

Identifiers

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

1 reference

docetaxel (English)

18 November 2016

2 references

docetaxel (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

114977-28-5

2 references

Global Substance Registration System

UNII

699121PHCA

docetaxel anhydrous (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=114977-28-5

8 April 2021

1 reference

Docetaxel (English)

18 November 2016

2 references

docetaxel (English)

18 November 2016

Reaxys registry number

4290183

1 reference

docetaxel anhydrous (English)

19 October 2016

ChEBI ID

4672

mapping relation type

2 references

DOCETAXEL (English)

18 November 2016

International Chemical Identifier

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

1 reference

DOCETAXEL (English)

18 November 2016

2 references

1 reference

NMRShiftDB structure ID

20165114

1 reference

HSDB ID

6965

1 reference

Hazardous Substances Data Bank

28 October 2019

DOCETAXEL (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.129.246

27 December 2018

ECHA Substance Infocard ID

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (English)

quotation

CAS no.: 114977-28-5 (English)

100.129.246

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.129.246

27 December 2018

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (English)

quotation

CAS no.: 114977-28-5 (English)

1 reference