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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N5
Molecular Weight 245.3235
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL-N-((3R,4R)-4-METHYLPIPERIDIN-3-YL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE

SMILES

C[C@@H]1CCNC[C@@H]1N(C)C2=NC=NC3=C2C=CN3

InChI

InChIKey=XRIARWQZLGCQDM-KOLCDFICSA-N
InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
N-METHYL-N-((3R,4R)-4-METHYLPIPERIDIN-3-YL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE
Systematic Name English
7H-PYRROLO(2,3-D)PYRIMIDIN-4-AMINE, N-METHYL-N-((3R,4R)-4-METHYL-3-PIPERIDINYL)-
Systematic Name English
TOFACITINIB IMPURITY M
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70633602
Created by admin on Sat Dec 16 19:09:46 UTC 2023 , Edited by admin on Sat Dec 16 19:09:46 UTC 2023
PRIMARY
PUBCHEM
23401507
Created by admin on Sat Dec 16 19:09:46 UTC 2023 , Edited by admin on Sat Dec 16 19:09:46 UTC 2023
PRIMARY
FDA UNII
TD92PJW2H4
Created by admin on Sat Dec 16 19:09:46 UTC 2023 , Edited by admin on Sat Dec 16 19:09:46 UTC 2023
PRIMARY
CAS
477600-74-1
Created by admin on Sat Dec 16 19:09:46 UTC 2023 , Edited by admin on Sat Dec 16 19:09:46 UTC 2023
PRIMARY
NIH
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