CH-0076989

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H22BrN2O2.Br
Molecular Weight	530.252
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].BrC1=[N+](CCCC2=CC=CC=C2)C=CC(NC(=O)CC3=CC=CC4=C3C=CO4)=C1

InChI

InChIKey=OONLXNFYGYMTLC-UHFFFAOYSA-N

InChI=1S/C24H21BrN2O2.BrH/c25-23-17-20(11-14-27(23)13-5-8-18-6-2-1-3-7-18)26-24(28)16-19-9-4-10-22-21(19)12-15-29-22;/h1-4,6-7,9-12,14-15,17H,5,8,13,16H2;1H

HIDE SMILES / InChI

Molecular Formula	C24H21BrN2O2
Molecular Weight	449.34
Charge	0
Count

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

Molecular Formula	BrH
Molecular Weight	80.912
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 `Mon Mar 31 22:03:37 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:37 GMT 2025`
Record UNII	9E629B19WL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CH-0076989

Common Name

English

PYRIDINIUM, 4-((2-(4-BENZOFURANYL)ACETYL)AMINO)-2-BROMO-1-(3-PHENYLPROPYL)-, BROMIDE (1:1)

Preferred Name

English

Code System Code Type Description

CAS

954371-52-9

Created by admin on Mon Mar 31 22:03:37 GMT 2025 , Edited by admin on Mon Mar 31 22:03:37 GMT 2025

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FDA UNII

9E629B19WL

Created by admin on Mon Mar 31 22:03:37 GMT 2025 , Edited by admin on Mon Mar 31 22:03:37 GMT 2025

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PUBCHEM

44560290

Created by admin on Mon Mar 31 22:03:37 GMT 2025 , Edited by admin on Mon Mar 31 22:03:37 GMT 2025

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Related Record Type Details


					L38YA3L52Z

CH-0076989 CATION

ACTIVE MOIETY