CP-690550A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H21N5O2
Molecular Weight	303.3595
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=CCOHWQFOFWCBMH-PWSUYJOCSA-N

InChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H21N5O2
Molecular Weight	303.3595
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 08:19:55 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:55 GMT 2023`
Record UNII	Q7ZOK859UK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CP-690550A

Common Name

English

TOFACITINIB METABOLITE M2

Common Name

English

CP-690,550A

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

49856321

Created by admin on Sat Dec 16 08:19:55 GMT 2023 , Edited by admin on Sat Dec 16 08:19:55 GMT 2023

PRIMARY

CAS

1243290-37-0

Created by admin on Sat Dec 16 08:19:55 GMT 2023 , Edited by admin on Sat Dec 16 08:19:55 GMT 2023

PRIMARY

FDA UNII

Q7ZOK859UK

Created by admin on Sat Dec 16 08:19:55 GMT 2023 , Edited by admin on Sat Dec 16 08:19:55 GMT 2023

PRIMARY

Related Record Type Details


					87LA6FU830

TOFACITINIB

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: