Tofacitinib N-Oxide

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H20N6O2
Molecular Weight	328.369
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1[N@+](C)([O-])C2=C3C=CNC3=NC=N2)C(=O)CC#N

InChI

InChIKey=BKXHGXXDZRQCDL-YZQUQHLXSA-N

InChI=1S/C16H20N6O2/c1-11-5-8-21(14(23)3-6-17)9-13(11)22(2,24)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+,22?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H20N6O2
Molecular Weight	328.369
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:59:32 UTC 2023` Edited by `admin` on `Sat Dec 16 18:59:32 UTC 2023`
Record UNII	VW58ZD3YDU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tofacitinib N-Oxide

Common Name

English

(3R,4R)-4-Methyl-3-(methyloxido-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile

Systematic Name

English

1-Piperidinepropanenitrile, 4-methyl-3-(methyloxido-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3R,4R)-

Common Name

English

CP-690550N-Oxide

Common Name

English

Code System Code Type Description

FDA UNII

VW58ZD3YDU

Created by admin on Sat Dec 16 18:59:32 UTC 2023 , Edited by admin on Sat Dec 16 18:59:32 UTC 2023

PRIMARY

PUBCHEM

134786206

Created by admin on Sat Dec 16 18:59:32 UTC 2023 , Edited by admin on Sat Dec 16 18:59:32 UTC 2023

PRIMARY

CAS

2028267-73-2

Created by admin on Sat Dec 16 18:59:32 UTC 2023 , Edited by admin on Sat Dec 16 18:59:32 UTC 2023

PRIMARY

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