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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26NO.Br
Molecular Weight 364.32
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIBENZONIUM BROMIDE, (R)-

SMILES

[Br-].C[N+](C)(C)CCO[C@H](CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=APVMLVNTOWQOHL-FSRHSHDFSA-M
InChI=1S/C19H26NO.BrH/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17;/h4-13,19H,14-16H2,1-3H3;1H/q+1;/p-1/t19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C19H26NO
Molecular Weight 284.4158
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 Sat Dec 16 10:49:02 GMT 2023
Edited
by admin
on Sat Dec 16 10:49:02 GMT 2023
Record UNII
5YVK8XET1V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIBENZONIUM BROMIDE, (R)-
Common Name English
Code System Code Type Description
PUBCHEM
76961263
Created by admin on Sat Dec 16 10:49:02 GMT 2023 , Edited by admin on Sat Dec 16 10:49:02 GMT 2023
PRIMARY
FDA UNII
5YVK8XET1V
Created by admin on Sat Dec 16 10:49:02 GMT 2023 , Edited by admin on Sat Dec 16 10:49:02 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER