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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22N6O
Molecular Weight 314.3861
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6-DIHYDRO TOFACITINIB

SMILES

C[C@]1([H])CCN(C[C@]1([H])N(C)c2c3CCNc3ncn2)C(=O)CC#N

InChI

InChIKey=PEURVXMHTIUQCG-YPMHNXCESA-N
InChI=1S/C16H22N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h10-11,13H,3-5,7-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22N6O
Molecular Weight 314.3861
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:48:04 UTC 2021
Edited
by admin
on Fri Jun 25 20:48:04 UTC 2021
Record UNII
XV9CP7GUL4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,6-DIHYDRO TOFACITINIB
Common Name English
1-PIPERIDINEPROPANENITRILE, 3-((6,7-DIHYDRO-5H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)METHYLAMINO)-4-METHYL-.BETA.-OXO-, (3R,4R)-
Systematic Name English
(3R,4R)-3-((6,7-DIHYDRO-5H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)METHYLAMINO)-4-METHYL-.BETA.-OXO-1-PIPERIDINEPROPANENITRILE
Systematic Name English
TOFACITINIB IMPURITY 6
Common Name English
Code System Code Type Description
PUBCHEM
67965295
Created by admin on Fri Jun 25 20:48:04 UTC 2021 , Edited by admin on Fri Jun 25 20:48:04 UTC 2021
PRIMARY
FDA UNII
XV9CP7GUL4
Created by admin on Fri Jun 25 20:48:04 UTC 2021 , Edited by admin on Fri Jun 25 20:48:04 UTC 2021
PRIMARY
CAS
1640972-35-5
Created by admin on Fri Jun 25 20:48:04 UTC 2021 , Edited by admin on Fri Jun 25 20:48:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY