BEFETUPITANT

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H29F6N3O2
Molecular Weight	565.5499
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BEFETUPITANT

Structure Search

SMILES

CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CN=C(C=C2C3=CC=CC=C3C)N4CCOCC4

InChI

InChIKey=ZGNPLCMMVKCTHM-UHFFFAOYSA-N

InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C29H29F6N3O2
Molecular Weight	565.5499
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 15:29:43 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:43 UTC 2023`
Record UNII	RSH7NDI7MI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BEFETUPITANT

Official Name

English

befetupitant [INN]

Common Name

English

RO-675930

Code

English

BEFETUPITANT [USAN]

Common Name

English

RO-67-5930

Code

English

2-(3,5-Bis(trifluoromethyl)phenyl)-N-[4-[2-methylphenyl]-6-(morpholin-4-yl)pyridin-3-yl]-N-methylisobutyramide

Systematic Name

English

RO 67-5930

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C265

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

Code System Code Type Description

MESH

C508855

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

NCI_THESAURUS

C78006

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

SMS_ID

300000034096

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

FDA UNII

RSH7NDI7MI

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

EPA CompTox

DTXSID90183270

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

CAS

290296-68-3

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

INN

8392

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

WIKIPEDIA

Befetupitant

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

PUBCHEM

6450815

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

USAN

RR-92

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

ChEMBL

CHEMBL204694

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

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