TOFACITINIB CITRATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20N6O.C6H8O7
Molecular Weight	504.4931
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TOFACITINIB CITRATE

Structure Search

SMILES

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

InChI

InChIKey=SYIKUFDOYJFGBQ-YLAFAASESA-N

InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H20N6O
Molecular Weight	312.3696
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 `Fri Dec 15 18:46:21 UTC 2023` Edited by `admin` on `Fri Dec 15 18:46:21 UTC 2023`
Record UNII	O1FF4DIV0D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOFACITINIB CITRATE

Official Name

English

TASOCITINIB CITRATE

Common Name

English

TOFACITINIB CITRATE [USAN]

Common Name

English

XELJANZ XR

Brand Name

English

Tofacitinib citrate [WHO-DD]

Common Name

English

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

Systematic Name

English

TASOCITINIB MONOCITRATE

Common Name

English

TOFACITINIB MONOCITRATE [MI]

Common Name

English

CP-690550 CITRATE

Common Name

English

TOFACITINIB CITRATE [JAN]

Common Name

English

3-((3R,4R)-4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXO-PROPANENITRILE2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE (1:1)

Common Name

English

XELJANZ

Brand Name

English

TOFACITINIB CITRATE [ORANGE BOOK]

Common Name

English

CP-690,550-10

Code

English

CP-690550-10

Code

English

CP-690

Common Name

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

XELJANZ (REFUSED: ARTHRITIS, RHEUMATOID)

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

NCI_THESAURUS

C1967

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

Code System Code Type Description

PUBCHEM

10174505

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

EPA CompTox

DTXSID80202404

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

NCI_THESAURUS

C95801

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

JAPANESE REVIEW

XELJANZ

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

APPROVED MARCH 2013

MERCK INDEX

m10931

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

Merck Index

EVMPD

SUB33105

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

FDA UNII

O1FF4DIV0D

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

DRUG BANK

DBSALT000180

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

RXCUI

1358492

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

RxNorm

USAN

WW-12

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

DAILYMED

O1FF4DIV0D

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

CHEBI

71197

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

SMS_ID

100000126136

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

CAS

540737-29-9

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

ChEMBL

CHEMBL221959

Created by admin on Fri Dec 15 18:46:21 UTC 2023 , Edited by admin on Fri Dec 15 18:46:21 UTC 2023

PRIMARY

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