EPITOFACITINIB, (3R,4S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20N6O
Molecular Weight	312.3696
Optical Activity	( + )
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)CC#N

InChI

InChIKey=UJLAWZDWDVHWOW-AAEUAGOBSA-N

InChI=1S/C16H20N6O/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/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1

HIDE SMILES / InChI

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 `Wed Apr 02 11:48:17 GMT 2025` Edited by `admin` on `Wed Apr 02 11:48:17 GMT 2025`
Record UNII	B64WR5WNB7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPITOFACITINIB, (3R,4S)-

Common Name

English

(3R,4S)-(+)-TOFACITINIB ISOMER

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1092578-46-5

Created by admin on Wed Apr 02 11:48:17 GMT 2025 , Edited by admin on Wed Apr 02 11:48:17 GMT 2025

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FDA UNII

B64WR5WNB7

Created by admin on Wed Apr 02 11:48:17 GMT 2025 , Edited by admin on Wed Apr 02 11:48:17 GMT 2025

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PUBCHEM

25180101

Created by admin on Wed Apr 02 11:48:17 GMT 2025 , Edited by admin on Wed Apr 02 11:48:17 GMT 2025

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EPA CompTox

DTXSID40648965

Created by admin on Wed Apr 02 11:48:17 GMT 2025 , Edited by admin on Wed Apr 02 11:48:17 GMT 2025

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