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Details

Stereochemistry ACHIRAL
Molecular Formula C14H21N5O3S
Molecular Weight 339.413
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABROCITINIB METABOLITE M1

SMILES

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCO)C2=NC=NC3=C2C=CN3

InChI

InChIKey=BUCWCFYDDFQXLE-PHIMTYICSA-N
InChI=1S/C14H21N5O3S/c1-19(14-12-3-4-15-13(12)16-9-17-14)11-7-10(8-11)18-23(21,22)6-2-5-20/h3-4,9-11,18,20H,2,5-8H2,1H3,(H,15,16,17)/t10-,11+

HIDE SMILES / InChI

Molecular Formula C14H21N5O3S
Molecular Weight 339.413
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 Dec 16 19:02:54 UTC 2023
Edited
by admin
on Sat Dec 16 19:02:54 UTC 2023
Record UNII
YA4DQK8CAT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABROCITINIB METABOLITE M1
Common Name English
PF-06471658
Code English
1-Propanesulfonamide, 3-hydroxy-N-[cis-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-
Common Name English
Code System Code Type Description
FDA UNII
YA4DQK8CAT
Created by admin on Sat Dec 16 19:02:55 UTC 2023 , Edited by admin on Sat Dec 16 19:02:55 UTC 2023
PRIMARY
CAS
2744171-54-6
Created by admin on Sat Dec 16 19:02:55 UTC 2023 , Edited by admin on Sat Dec 16 19:02:55 UTC 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
BINDER->LIGAND
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PLASMA; URINE