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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 of CH-0076989

SMILES

[Br-].BrC1=CC(NC(=O)CC2=C3C=COC3=CC=C2)=CC=[N+]1CCCC4=CC=CC=C4

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 BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:24:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:52 GMT 2023
Record UNII
9E629B19WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CH-0076989
Common Name English
PYRIDINIUM, 4-((2-(4-BENZOFURANYL)ACETYL)AMINO)-2-BROMO-1-(3-PHENYLPROPYL)-, BROMIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
954371-52-9
Created by admin on Sat Dec 16 08:24:52 GMT 2023 , Edited by admin on Sat Dec 16 08:24:52 GMT 2023
PRIMARY
FDA UNII
9E629B19WL
Created by admin on Sat Dec 16 08:24:52 GMT 2023 , Edited by admin on Sat Dec 16 08:24:52 GMT 2023
PRIMARY
PUBCHEM
44560290
Created by admin on Sat Dec 16 08:24:52 GMT 2023 , Edited by admin on Sat Dec 16 08:24:52 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY