U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
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 M4

SMILES

CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C2=NC=NC3=C2C=C(O)N3

InChI

InChIKey=VKRWKWQUUIKYQT-AOOOYVTPSA-N
InChI=1S/C14H21N5O3S/c1-3-4-23(21,22)18-9-5-10(6-9)19(2)14-11-7-12(20)17-13(11)15-8-16-14/h7-10,18,20H,3-6H2,1-2H3,(H,15,16,17)/t9-,10+

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 18:29:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:16 GMT 2023
Record UNII
F4CFC52G5E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABROCITINIB METABOLITE M4
Common Name English
PF-07054874
Code English
N-((1s,3s)-3-((6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)cyclobutyl)propane-1-sulfonamide
Common Name English
Code System Code Type Description
FDA UNII
F4CFC52G5E
Created by admin on Sat Dec 16 18:29:16 GMT 2023 , Edited by admin on Sat Dec 16 18:29:16 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE ACTIVE
URINE