l
larotrectinib
Chemical compound
Also known as (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide · example 14 [US8865698 B2] · larotrectinib (proposed INN) · LOXO-101 · ARRY-470 · Larotrectinib
- Formula
- C₂₁H₂₂F₂N₆O₂
1
- C₂₁H₂₂F₂N₆O₂
- Mass
- 428.1772 Da
1
- 428.1772 Da
Overview
Chemistry
All data
33 statements · 45% with external sources · numbers in brackets are citations
- Canonical SMILES
- C1CC(N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CCC(C4)O)C5=C(C=CC(=C5)F)F
1
- C1CC(N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CCC(C4)O)C5=C(C=CC(=C5)F)F
- Isomeric SMILES
- C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F
1
- C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F
- LiverTox likelihood score
- LiverTox toxicity likelihood category E*
1
Sources- 1.Stated in LiverToxncbi.nlm.nih.gov/books/n/livertox/LarotrectinibRetrieved 2021-04-08
- LiverTox toxicity likelihood category E*
On other databases
20 identifiers linking larotrectinib across the web's reference databases
- CAS Registry Number1223403-58-4
- ChemSpider ID44210503
- DrugBank IDDB14723
- DrugCentral ID5305
- DSSTox substance IDDTXSID101020707
- Google Knowledge Graph ID/g/11g6bg5bz6
- Guide to Pharmacology Ligand ID8909
- Human Metabolome Database IDHMDB0304896
- InChIInChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
- InChIKeyNYNZQNWKBKUAII-KBXCAEBGSA-N
- LiverTox IDLarotrectinib
- MedlinePlus drug identifiera619006
- Probes And Drugs IDPD049151
- PubChem CID46188928
- RxNorm CUI2105628
- SureChEMBL ID2241012
- UniChem compound ID29066734
- UNIIPF9462I9HX
- WikiProjectMed IDLarotrectinib
- World Health Organisation international non-proprietary name numeric ID10360