tofacitinib (Q3530324)

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chemical compound
  • CP-690,550
  • CP-690550
  • tasocitinib
  • Xeljanz®
edit
Language Label Description Also known as
English
tofacitinib
chemical compound
  • CP-690,550
  • CP-690550
  • tasocitinib
  • Xeljanz®

Statements

chemical structure
Tofacitinib.svg
512 × 347; 4 KB
0 references
mass
312.17 dalton
1 reference
stated in
PubChem
PubChem CID
9926791
language of work or name
English
title
Tofacitinib (English)
retrieved
19 October 2016
chemical formula
C₁₆H₂₀N₆O
1 reference
stated in
PubChem
PubChem CID
9926791
language of work or name
English
title
Tofacitinib (English)
retrieved
19 November 2016
canonical SMILES
CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
1 reference
stated in
PubChem
PubChem CID
9926791
language of work or name
English
title
Tofacitinib (English)
retrieved
19 November 2016
isomeric SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
1 reference
stated in
PubChem
PubChem CID
9926791
language of work or name
English
title
Tofacitinib (English)
retrieved
19 November 2016
legal status (medicine)
boxed warning
1 reference
reference URL
https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
title
FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)
Commons category
Tofacitinib
0 references

Identifiers

Reaxys registry number
11647225
1 reference
stated in
ChEBI
ChEBI ID
71200
language of work or name
English
title
tofacitinib (English)
retrieved
19 October 2016
HSDB ID
8311
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
8311
publication date
28 October 2019
title
Tofacitinib (English)
retrieved
10 May 2021
LiverTox ID
Tofacitinib
0 references
EC number
689-145-4
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.215.928
retrieved
27 December 2018
title
3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)- (English)
quotation
CAS no.: 477600-75-2 (English)
ECHA Substance Infocard ID
100.215.928
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.215.928
retrieved
27 December 2018
title
3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)- (English)
quotation
CAS no.: 477600-75-2 (English)
KEGG ID
D09970
1 reference
stated in
ChEBI
ChEBI ID
71200
language of work or name
English
title
tofacitinib (English)
retrieved
19 October 2016
PDB ligand ID
MI1
0 references
Freebase ID
/m/0gfhs9b
0 references
 
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