BEFIRADOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22ClF2N3O
Molecular Weight	393.858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BEFIRADOL

Structure Search

SMILES

CC1=CC=C(CNCC2(F)CCN(CC2)C(=O)C3=CC=C(F)C(Cl)=C3)N=C1

InChI

InChIKey=PKZXLMVXBZICTF-UHFFFAOYSA-N

InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C20H22ClF2N3O
Molecular Weight	393.858
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:13:27 UTC 2023` Edited by `admin` on `Fri Dec 15 17:13:27 UTC 2023`
Record UNII	RAT9OHA1YH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BEFIRADOL

Official Name

English

Befiradol [WHO-DD]

Common Name

English

F-13640

Code

English

(3-CHLORO-4-FLUOROPHENYL)(4-FLUORO-4-((((5-METHYLPYRIDIN-2-YL)METHYL)AMINO)METHYL)PIPERIDIN-1-YL)METHANONE

Systematic Name

English

NLX-112

Code

English

befiradol [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

Code System Code Type Description

PUBCHEM

9865384

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

ChEMBL

CHEMBL45305

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

CAS

208110-64-9

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

NCI_THESAURUS

C81392

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

EVMPD

SUB189251

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

INN

8953

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

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SMS_ID

100000175063

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

EPA CompTox

DTXSID90943058

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

FDA UNII

RAT9OHA1YH

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

WIKIPEDIA

BEFIRADOL

Created by admin on Fri Dec 15 17:13:27 UTC 2023 , Edited by admin on Fri Dec 15 17:13:27 UTC 2023

PRIMARY

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SALT/SOLVATE -> PARENT


					3CW8YYD822

LABELED -> NON-LABELED

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					RAT9OHA1YH

BEFIRADOL

ACTIVE MOIETY