DESMETHYLTOFACITINIB

C[C@@H]1CCN(C[C@@H]1NC2=NC=NC3=C2C=CN3)C(=O)CC#N

InChIKey=RINVSZVUBKMZHU-PWSUYJOCSA-N

InChI=1S/C15H18N6O/c1-10-4-7-21(13(22)2-5-16)8-12(10)20-15-11-3-6-17-14(11)18-9-19-15/h3,6,9-10,12H,2,4,7-8H2,1H3,(H2,17,18,19,20)/t10-,12+/m1/s1

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:04:09 UTC 2023` Edited by `admin` on `Sat Dec 16 10:04:09 UTC 2023`
Record UNII	SXK0NN5WN7
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

DESMETHYLTOFACITINIB

Common Name

English

1-PIPERIDINEPROPANENITRILE, 4-METHYL-.BETA.-OXO-3-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-, (3R,4R)-

Systematic Name

English

TOFACITINIB METABOLITE M1

Common Name

English

Code System Code Type Description

FDA UNII

SXK0NN5WN7

Created by admin on Sat Dec 16 10:04:09 UTC 2023 , Edited by admin on Sat Dec 16 10:04:09 UTC 2023

PRIMARY

PUBCHEM

92135749

Created by admin on Sat Dec 16 10:04:09 UTC 2023 , Edited by admin on Sat Dec 16 10:04:09 UTC 2023

PRIMARY

CAS

1527525-58-1

Created by admin on Sat Dec 16 10:04:09 UTC 2023 , Edited by admin on Sat Dec 16 10:04:09 UTC 2023

PRIMARY

Related Record Type Details


					87LA6FU830

PARENT -> METABOLITE

Qualification:

PLASMA; URINE

Amount: