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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17N3O5S2
Molecular Weight 443.496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[(4-methylphenyl)sulfonyl]7H-Pyrrolo[2,3-d]pyrimidin-4-ol 4-(4-methylbenzenesulfonate)

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CN(C3=NC=N2)S(=O)(=O)C4=CC=C(C)C=C4

InChI

InChIKey=OANRVXOMNQRZTA-UHFFFAOYSA-N
InChI=1S/C20H17N3O5S2/c1-14-3-7-16(8-4-14)29(24,25)23-12-11-18-19(23)21-13-22-20(18)28-30(26,27)17-9-5-15(2)6-10-17/h3-13H,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H17N3O5S2
Molecular Weight 443.496
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:56:39 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:39 GMT 2025
Record UNII
2BP4A8SK22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7H-Pyrrolo[2,3-d]pyrimidin-4-ol, 7-[(4-methylphenyl)sulfonyl]-, 4-(4-methylbenzenesulfonate)
Preferred Name English
7-[(4-methylphenyl)sulfonyl]7H-Pyrrolo[2,3-d]pyrimidin-4-ol 4-(4-methylbenzenesulfonate)
Systematic Name English
Tofacitinib impurity 22
Common Name English
Code System Code Type Description
PUBCHEM
138109364
Created by admin on Wed Apr 02 20:56:39 GMT 2025 , Edited by admin on Wed Apr 02 20:56:39 GMT 2025
PRIMARY
CAS
2250243-22-0
Created by admin on Wed Apr 02 20:56:39 GMT 2025 , Edited by admin on Wed Apr 02 20:56:39 GMT 2025
PRIMARY
FDA UNII
2BP4A8SK22
Created by admin on Wed Apr 02 20:56:39 GMT 2025 , Edited by admin on Wed Apr 02 20:56:39 GMT 2025
PRIMARY