5-((3R,4S)-4-ETHYL-1-(2,2,2-TRIFLUOROETHYLCARBAMOYL)PYRROLIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H18F3N5O2
Molecular Weight	333.3095
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((3R,4S)-4-ETHYL-1-(2,2,2-TRIFLUOROETHYLCARBAMOYL)PYRROLIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

Structure Search

SMILES

CC[C@@H]1CN(C[C@@H]1C2=CN=C(N2)C(N)=O)C(=O)NCC(F)(F)F

InChI

InChIKey=FFBIFAHBPUAUME-SFYZADRCSA-N

InChI=1S/C13H18F3N5O2/c1-2-7-4-21(12(23)19-6-13(14,15)16)5-8(7)9-3-18-11(20-9)10(17)22/h3,7-8H,2,4-6H2,1H3,(H2,17,22)(H,18,20)(H,19,23)/t7-,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H18F3N5O2
Molecular Weight	333.3095
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 19:03:38 GMT 2023` Edited by `admin` on `Sat Dec 16 19:03:38 GMT 2023`
Record UNII	FVX82Q3ZNW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((3R,4S)-4-ETHYL-1-(2,2,2-TRIFLUOROETHYLCARBAMOYL)PYRROLIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE

Systematic Name

English

UPADACITINIB METABOLITE M11

Common Name

English

Code System Code Type Description

PUBCHEM

156613502

Created by admin on Sat Dec 16 19:03:38 GMT 2023 , Edited by admin on Sat Dec 16 19:03:38 GMT 2023

PRIMARY

FDA UNII

FVX82Q3ZNW

Created by admin on Sat Dec 16 19:03:38 GMT 2023 , Edited by admin on Sat Dec 16 19:03:38 GMT 2023

PRIMARY

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