degarelix
chemical compound
Facts
13 properties- Instance of
- type of chemical entity
- Subclass of
- chemical compound
- Has use
- medication
- Active ingredient in
- Firmagon
- 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
- Chemical formula
- C₈₂H₁₀₃ClN₁₈O₁₆
- Defined daily dose
- +2.7
- 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
- LiverTox likelihood score
- LiverTox toxicity likelihood category E
- Mass
- +1630.748797
- NCI Thesaurus ID
- C48385
- Physically interacts with
- Gonadotropin releasing hormone receptor
- Route of administration
- subcutaneous injection
🏷️ Also known as
en degarelix
en Degarelix
en FE200486
en Firmagon®
ar ديغاريليكس
ru Фирмагон
🔖 Identifiers · 30
- ATC code
- L02BX02
- CAS Registry Number
- 214766-78-6
- ChEBI ID
- 135961
- ChEMBL ID
- CHEMBL415606
- ChemSpider ID
- 17292756
- DSSTox substance ID
- DTXSID801026401
- DrugBank ID
- DB06699
- DrugCentral ID
- 4379
- EC number
- 807-277-4
- ECHA Substance Infocard ID
- 100.234.843
- Freebase ID
- /m/05b07rv
- Guide to Pharmacology Ligand ID
- 5585
Show all 30 identifiers +18
- HSDB ID
- 7817
- InChIKey
- MEUCPCLKGZSHTA-XYAYPHGZSA-N
- KEGG ID
- D08901
- LiverTox ID
- Degarelix
- MedlinePlus drug identifier
- a609022
- Microsoft Academic ID (discontinued)
- 2778347918
- NDF-RT ID
- N0000178334
- PatientsLikeMe treatment ID
- degarelix
- Probes And Drugs ID
- PD016212
- RxNorm CUI
- 475230
- SureChEMBL ID
- 21.1M (1.4M–30.0M, n=3)
- UK Parliament thesaurus ID
- 459967
- UMLS CUI
- C1455035
- UNII
- SX0XJI3A11
- UniChem compound ID
- 570470
- WikiProjectMed ID
- Degarelix
🔗 Connections
Has use 1
Route of administration 1
Subclass of 1
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Summary
degarelix is a type of chemical entity[1]. degarelix is a type of chemical compound[2].
Key Facts
- Physically interacts with: Gonadotropin releasing hormone receptor[3]
- 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[4]
- Chemical formula: C₈₂H₁₀₃ClN₁₈O₁₆[5]
- Has use: medication[6]
- Route of administration: subcutaneous injection[7]
- NCI Thesaurus ID: C48385[8]
- Isomeric SMILES: CC(C)CC@HC(=O)NC@@HC(=O)N8CCC[C@H]8C(=O)NC@HC(N)=OC@@HNC(=O)C@HNC(=O)C@HNC(=O)C@@HNC(=O)[C@@H](CC5=CC=C">[9]
- Mass: 1630.748797 dalton[10]
- Active ingredient in: Firmagon[11]
- Defined daily dose: 2.7 milligram[12]
- LiverTox likelihood score: LiverTox toxicity likelihood category E[13]