2-(4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID, (3R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H19N5O3
Molecular Weight	317.3431
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID, (3R,4R)-

Structure Search

SMILES

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

InChI

InChIKey=SBKOWUPWDNSLHG-KOLCDFICSA-N

InChI=1S/C15H19N5O3/c1-9-4-6-20(14(21)15(22)23)7-11(9)19(2)13-10-3-5-16-12(10)17-8-18-13/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,22,23)(H,16,17,18)/t9-,11+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2-CARBOXY-1-(4-METHYL-3-(METHYL-(7HPYRROLO(2,3-D)PYRIMIDIN-4-YL)-AMINO)-PIPERIDIN-1-YL)-ETHANONE

Preferred Name

English

2-(4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID, (3R,4R)-

Common Name

English

2-((3R,4R)-4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID

Systematic Name

English

TOFACITINIB METABOLITE M4

Common Name

English

Code System Code Type Description

FDA UNII

L83HR8M9QX

Created by admin on Mon Mar 31 21:53:06 GMT 2025 , Edited by admin on Mon Mar 31 21:53:06 GMT 2025

PRIMARY

PUBCHEM

121493386

Created by admin on Mon Mar 31 21:53:06 GMT 2025 , Edited by admin on Mon Mar 31 21:53:06 GMT 2025

PRIMARY

PARENT (METABOLITE)


					87LA6FU830

Tofacitinib

SUBSTANCE RECORD


					L83HR8M9QX

2-(4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-2-OXOACETIC ACID, (3R,4R)-