degarelix (Q1182795)

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chemical compound

FE200486
Firmagon®
Degarelix

Language	Label	Description	Also known as
default for all languages	No label defined
English	degarelix	chemical compound	FE200486 Firmagon® Degarelix

Statements

type of chemical entity

0 references

chemical compound

0 references

0 references

chemical structure

Degarelix.svg
512 × 242; 34 KB

0 references

1,630.748797 dalton

1 reference

language of work or name

Degarelix (English)

3 October 2016

chemical formula

C₈₂H₁₀₃ClN₁₈O₁₆

1 reference

language of work or name

Degarelix (English)

3 October 2016

canonical SMILES

CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C

1 reference

language of work or name

Degarelix (English)

3 October 2016

isomeric SMILES

CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC2=CC=C(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CC=CN=C4)NC(=O)[C@@H](CC5=CC=C(Cl)C=C5)NC(=O)[C@@H](CC6=CC7=C(C=CC=C7)C=C6)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@H](C)C(N)=O

1 reference

Global Substance Registration System

14 February 2018

defined daily dose

2.7 milligram

route of administration

parenteral route of administration

1 reference

https://www.whocc.no/atc_ddd_index/?code=L02BX02

active ingredient in

1 reference

European Medicines Agency product number

EMEA/H/C/000986

http://www.ema.europa.eu/ema/index.jsp?curl=pages/medicines/human/medicines/000986/human_med_000794.jsp

22 March 2017

physically interacts with

Gonadotropin releasing hormone receptor

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL415606

route of administration

subcutaneous injection

0 references

LiverTox likelihood score

LiverTox toxicity likelihood category E

1 reference

8 April 2021

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

27 December 2017

NCI Thesaurus ID

C48385

1 reference

Global Substance Registration System

14 February 2018

Identifiers

InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1

1 reference

based on heuristic

inferred from SMILES

MEUCPCLKGZSHTA-XYAYPHGZSA-N

2 references

language of work or name

Degarelix (English)

3 October 2016

Global Substance Registration System

14 February 2018

CAS Registry Number

2 references

language of work or name

Degarelix (English)

3 October 2016

Global Substance Registration System

14 February 2018

1 reference

language of work or name

Degarelix (English)

3 October 2016

2 references

language of work or name

Degarelix (English)

3 October 2016

matched by identifier from

MEUCPCLKGZSHTA-XYAYPHGZSA-N

1 reference

matched by identifier from

MEUCPCLKGZSHTA-XYAYPHGZSA-N

mapping relation type

3 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1

1 reference

language of work or name

DEGARELIX (English)

3 October 2016

UniChem compound ID

1 reference

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

Degarelix (English)

10 May 2021

DSSTox substance ID

DTXSID801026401

1 reference

matched by identifier from

MEUCPCLKGZSHTA-XYAYPHGZSA-N

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

[No public or meaningful name is available] (English)

CAS no.: 214766-78-6 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

[No public or meaningful name is available] (English)

CAS no.: 214766-78-6 (English)

1 reference

language of work or name

Degarelix (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

degarelix (English)

3 October 2016

1 reference

Global Substance Registration System

14 February 2018

1 reference

matched by identifier from

MEUCPCLKGZSHTA-XYAYPHGZSA-N

3 references

language of work or name

Degarelix (English)

3 October 2016

Global Substance Registration System

14 February 2018

matched by identifier from

MEUCPCLKGZSHTA-XYAYPHGZSA-N

MedlinePlus drug identifier

0 references

PatientsLikeMe treatment ID

0 references

1 reference

language of work or name

DEGARELIX (English)

19 January 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

Degarelix (English)

19 January 2016

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

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UK Parliament thesaurus ID

subject named as

Degarelix

0 references

1 reference

WikiUMLS: Aligning UMLS to Wikipedia via Cross-lingual Neural Ranking

WikiProjectMed ID

0 references

Sitelinks

Wikipedia(14 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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