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chemical compound

Välised allikad

ChEBI ID
145430[1][2]

mapping relation type: täpne vaste

InChI
InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1[3]
PubChem CID
71657455[3][4]
Google Knowledge Graph ID
/g/11f240ky6j
Guide to Pharmacology Ligand ID
9217[5]
LiverTox ID
Ivosidenib
CAS Registry Number
1448347-49-6[6][7]
InChIKey
WIJZXSAJMHAVGX-DHLKQENFSA-N[3]
DrugBank ID
DB14568[4]
DSSTox substance ID
DTXSID801027928[4]
ChemSpider ID
38772333[8]
MedlinePlus drug identifier
a618042
WikiProjectMed ID
Ivosidenib
DrugCentral ID
5292[9]
SureChEMBL ID
SCHEMBL15122512[10][4]
UniChem compound ID
43846989[9]
Probes And Drugs ID
PD046740
UNII
Q2PCN8MAM6[6][4]

üksikjuht nähtusest

type of chemical entity

mille alamklass

keemiline ühend

kasutus

ravim

keemiline struktuur

mass/kaal

582,139400904 aatommassiühik[11]

chemical formula

C₂₈H₂₂ClF₃N₆O₃[3]

canonical SMILES

C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N[3]

isomeric SMILES

C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N[3]
boxed warning[12]

LiverTox likelihood score

LiverTox toxicity likelihood category E*[13]

Viited

  1. ↑ ChEBI release 2021-03-01
  2. ↑ International Chemical Identifier, InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
  3. ↑ 3,0 3,1 3,2 3,3 3,4 3,5 PubChem, 20. november 2016, inglise keel, 71657455, Ivosidenib
  4. ↑ 4,0 4,1 4,2 4,3 4,4 WIJZXSAJMHAVGX-DHLKQENFSA-N, InChIKey
  5. ↑ IUPHAR/BPS Guide to PHARMACOLOGY, 20. november 2016, inglise keel, 9217, ivosidenib
  6. ↑ 6,0 6,1 Global Substance Registration System, 20. november 2016, inglise keel, ivosidenib, Q2PCN8MAM6
  7. ↑ CAS Common Chemistry, 10. aprill 2021, WIJZXSAJMHAVGX-DHLKQENFSA-N, https://commonchemistry.cas.org/detail?cas_rn=1448347-49-6
  8. ↑ ChemSpider, 20. november 2016, inglise keel, 38772333, ivosidenib
  9. ↑ 9,0 9,1 UniChem
  10. ↑ inferred from InChIKey
  11. ↑ inferred from isomeric SMILES
  12. ↑ FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links., https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
  13. ↑ LiverTox, 8. aprill 2021, https://www.ncbi.nlm.nih.gov/books/n/livertox/Ivosidenib, 20. oktoober 2018
Pärit leheküljelt "https://et.wikipedia.org/wiki/Eri:AboutTopic/Q27895417"