(2Z)-2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H9F3N2O3
Molecular Weight	286.2067
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2Z)-2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE

Structure Search

SMILES

OC\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F

InChI

InChIKey=WHYQOFDUXDGMTM-KTKRTIGZSA-N

InChI=1S/C12H9F3N2O3/c13-12(14,15)7-1-3-8(4-2-7)17-11(20)9(5-16)10(19)6-18/h1-4,18-19H,6H2,(H,17,20)/b10-9-

HIDE SMILES / InChI

Molecular Formula	C12H9F3N2O3
Molecular Weight	286.2067
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:57:14 GMT 2023` Edited by `admin` on `Sat Dec 16 14:57:14 GMT 2023`
Record UNII	NRC7BA9FEK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2Z)-2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE

Systematic Name

English

METHYL-OH HMR1726

Common Name

English

2-BUTENAMIDE, 2-CYANO-3,4-DIHYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-, (2Z)-

Systematic Name

English

TERIFLUNOMIDE METABOLITE M7

Common Name

English

Code System Code Type Description

CAS

1058722-45-4

Created by admin on Sat Dec 16 14:57:14 GMT 2023 , Edited by admin on Sat Dec 16 14:57:14 GMT 2023

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PUBCHEM

125392027

Created by admin on Sat Dec 16 14:57:14 GMT 2023 , Edited by admin on Sat Dec 16 14:57:14 GMT 2023

PRIMARY

FDA UNII

NRC7BA9FEK

Created by admin on Sat Dec 16 14:57:14 GMT 2023 , Edited by admin on Sat Dec 16 14:57:14 GMT 2023

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Related Record Type Details


					1C058IKG3B

TERIFLUNOMIDE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE

Amount: