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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21N5O3S
Molecular Weight 339.413
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABROCITINIB METABOLITE M2

SMILES

C[C@H](O)CS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C2=NC=NC3=C2C=CN3

InChI

InChIKey=BSUGLFPZGXUNCS-GARJFASQSA-N
InChI=1S/C14H21N5O3S/c1-9(20)7-23(21,22)18-10-5-11(6-10)19(2)14-12-3-4-15-13(12)16-8-17-14/h3-4,8-11,18,20H,5-7H2,1-2H3,(H,15,16,17)/t9-,10-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H21N5O3S
Molecular Weight 339.413
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:45:27 UTC 2023
Edited
by admin
on Thu Jul 06 23:45:27 UTC 2023
Record UNII
MXH6JPD2F8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABROCITINIB METABOLITE M2
Common Name English
1-Propanesulfonamide, 2-hydroxy-N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-, (2S)-
Common Name English
PF-07055087
Code English
Code System Code Type Description
CAS
2744171-52-4
Created by admin on Thu Jul 06 23:45:28 UTC 2023 , Edited by admin on Thu Jul 06 23:45:28 UTC 2023
PRIMARY
FDA UNII
MXH6JPD2F8
Created by admin on Thu Jul 06 23:45:28 UTC 2023 , Edited by admin on Thu Jul 06 23:45:28 UTC 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
TARGET -> INHIBITOR
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PLASMA; URINE