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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19N5O3
Molecular Weight 317.3436
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID, (3R,4R)-

SMILES

C[C@]1([H])CCN(C[C@]1([H])N(C)c2c3cc[nH]c3ncn2)C(=O)C(=O)O

InChI

InChIKey=SBKOWUPWDNSLHG-KOLCDFICSA-N
InChI=1S/C15H19N5O3/c1-9-4-6-20(14(21)15(22)23)7-11(9)19(2)13-10-3-5-16-12(10)17-8-18-13/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,22,23)(H,16,17,18)/t9-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H19N5O3
Molecular Weight 317.3436
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 Sat Jun 26 03:38:44 UTC 2021
Edited
by admin
on Sat Jun 26 03:38:44 UTC 2021
Record UNII
L83HR8M9QX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID, (3R,4R)-
Common Name English
2-CARBOXY-1-(4-METHYL-3-(METHYL-(7HPYRROLO(2,3-D)PYRIMIDIN-4-YL)-AMINO)-PIPERIDIN-1-YL)-ETHANONE
Common Name English
2-((3R,4R)-4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID
Systematic Name English
TOFACITINIB METABOLITE M4
Common Name English
Code System Code Type Description
FDA UNII
L83HR8M9QX
Created by admin on Sat Jun 26 03:38:44 UTC 2021 , Edited by admin on Sat Jun 26 03:38:44 UTC 2021
PRIMARY
PUBCHEM
121493386
Created by admin on Sat Jun 26 03:38:44 UTC 2021 , Edited by admin on Sat Jun 26 03:38:44 UTC 2021
PRIMARY
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