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

Molecular Formula	C15H19N5O3
Molecular Weight	317.3431
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 08:06:27 UTC 2023` Edited by `admin` on `Sat Dec 16 08:06:27 UTC 2023`
Record UNII	L83HR8M9QX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

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 Sat Dec 16 08:06:27 UTC 2023 , Edited by admin on Sat Dec 16 08:06:27 UTC 2023

PRIMARY

PUBCHEM

121493386

Created by admin on Sat Dec 16 08:06:27 UTC 2023 , Edited by admin on Sat Dec 16 08:06:27 UTC 2023

PRIMARY

Related Record Type Details


					87LA6FU830

TOFACITINIB

PARENT -> METABOLITE

Qualification:

PLASMA; URINE

Amount: