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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N6O
Molecular Weight 312.3696
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPITOFACITINIB, (3S,4R)-

SMILES

C[C@@H]1CCN(C[C@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

InChI

InChIKey=UJLAWZDWDVHWOW-DGCLKSJQSA-N
InChI=1S/C16H20N6O/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/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
EPITOFACITINIB, (3S,4R)-
Common Name English
(3S,4R)-(-)-TOFACITINIB ISOMER
Common Name English
(3S,4R)-4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-1-PIPERIDINEPROPANENITRILE
Common Name English
1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, (3S,4R)-
Common Name English
Code System Code Type Description
PUBCHEM
9966538
Created by admin on Sat Dec 16 18:39:46 GMT 2023 , Edited by admin on Sat Dec 16 18:39:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID40433459
Created by admin on Sat Dec 16 18:39:46 GMT 2023 , Edited by admin on Sat Dec 16 18:39:46 GMT 2023
PRIMARY
CAS
1092578-48-7
Created by admin on Sat Dec 16 18:39:46 GMT 2023 , Edited by admin on Sat Dec 16 18:39:46 GMT 2023
PRIMARY
FDA UNII
D2E2X7QH4A
Created by admin on Sat Dec 16 18:39:46 GMT 2023 , Edited by admin on Sat Dec 16 18:39:46 GMT 2023
PRIMARY
NIH
NCATS
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