temsirolimus (Q7699074)

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chemical compound

CCI-779
Torisel®
42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin
CCI 779
Temsirolimus

Language	Label	Description	Also known as
English	temsirolimus	chemical compound	CCI-779 Torisel® 42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin CCI 779 Temsirolimus

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from InChIKey

0 references

chemical structure

Temsirolimus.png
1,059 × 1,013; 23 KB

0 references

1,029.602486 dalton

1 reference

language of work or name

Temsirolimus (English)

3 October 2016

chemical formula

C₅₆H₈₇NO₁₆

1 reference

language of work or name

Temsirolimus (English)

20 November 2016

canonical SMILES

CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

1 reference

language of work or name

Temsirolimus (English)

20 November 2016

isomeric SMILES

C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC

1 reference

language of work or name

Temsirolimus (English)

20 November 2016

active ingredient in

1 reference

European Medicines Agency product number

EMEA/H/C/000799

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/000799/human_med_001098.jsp

22 March 2017

medical condition treated

1 reference

Drug Indications Extracted from FAERS

2 October 2018

renal cell carcinoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

mantle cell lymphoma

1 reference

Drug Indications Extracted from FAERS

2 October 2018

significant drug interaction

bone marrow failure

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

Achor-Smith syndrom

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

thrombocytopenia

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

1 reference

sourcing circumstances

A reference set of clinically relevant adverse drug-drug interactions

physically interacts with

mechanistic target of rapamycin kinase

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

pregnancy category

Australian pregnancy category D

1 reference

imported from Wikimedia project

English Wikipedia

US pregnancy category D

1 reference

imported from Wikimedia project

English Wikipedia

subject has role

protein kinase inhibitors

1 reference

5 March 2018

0 references

Commons category

Temsirolimus

0 references

Identifiers

InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1

1 reference

based on heuristic

inferred from SMILES

CBPNZQVSJQDFBE-FUXHJELOSA-N

2 references

language of work or name

Temsirolimus (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

temsirolimus (English)

20 November 2016

CBPNZQVSJQDFBE-FUXHJELOSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=162635-04-3

1 reference

language of work or name

Temsirolimus (English)

20 November 2016

2 references

language of work or name

Temsirolimus (English)

20 November 2016

matched by identifier from

CBPNZQVSJQDFBE-FUXHJELOSA-N

mapping relation type

2 references

language of work or name

TEMSIROLIMUS (English)

20 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1

1 reference

language of work or name

TEMSIROLIMUS (English)

20 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CBPNZQVSJQDFBE-FUXHJELOSA-N

UniChem compound ID

1 reference

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

Temsirolimus (English)

10 May 2021

DSSTox substance ID

2 references

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

matched by identifier from

CBPNZQVSJQDFBE-FUXHJELOSA-N

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

42-[2,2-bis(hydroxymethyl)propionate] (English)

CAS no.: 162635-04-3 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

42-[2,2-bis(hydroxymethyl)propionate] (English)

CAS no.: 162635-04-3 (English)

1 reference

language of work or name

Temsirolimus (English)

publication date

17 November 2015

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

temsirolimus (English)

20 November 2016

1 reference

Global Substance Registration System

language of work or name

temsirolimus (English)

20 November 2016

1 reference

matched by identifier from

CBPNZQVSJQDFBE-FUXHJELOSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CBPNZQVSJQDFBE-FUXHJELOSA-N

2 references

Global Substance Registration System

language of work or name

temsirolimus (English)

20 November 2016

matched by identifier from

CBPNZQVSJQDFBE-FUXHJELOSA-N

MedlinePlus drug identifier

0 references

PatientsLikeMe treatment ID

0 references

1 reference

Global Substance Registration System

language of work or name

temsirolimus (English)

20 November 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

Temsirolimus (English)

3 October 2016

1 reference

language of work or name

Temsirolimus (English)

3 October 2016

0 references

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

1 reference

Global Substance Registration System

language of work or name

temsirolimus (English)

20 November 2016

WikiProjectMed ID

0 references

Sitelinks

Wikipedia(13 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Temsirolimus

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