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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21N5O2
Molecular Weight 303.3601
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-690550A

SMILES

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

InChI

InChIKey=CCOHWQFOFWCBMH-PWSUYJOCSA-N
InChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H21N5O2
Molecular Weight 303.3601
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 15:09:45 UTC 2021
Edited
by admin
on Sat Jun 26 15:09:45 UTC 2021
Record UNII
Q7ZOK859UK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-690550A
Common Name English
TOFACITINIB METABOLITE M2
Common Name English
CP-690,550A
Common Name English
2-HYDROXY-1-(4-METHYL-3-(METHYL-(7HPYRROLO(2,3-D)PYRIMIDIN-4-YL)-AMINO)-PIPERIDIN-1-YL)-ETHANONE
Common Name English
Code System Code Type Description
PUBCHEM
49856321
Created by admin on Sat Jun 26 15:09:45 UTC 2021 , Edited by admin on Sat Jun 26 15:09:45 UTC 2021
PRIMARY
CAS
1243290-37-0
Created by admin on Sat Jun 26 15:09:45 UTC 2021 , Edited by admin on Sat Jun 26 15:09:45 UTC 2021
PRIMARY
FDA UNII
Q7ZOK859UK
Created by admin on Sat Jun 26 15:09:45 UTC 2021 , Edited by admin on Sat Jun 26 15:09:45 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE