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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11N5O.BrH
Molecular Weight 322.161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-benzyl-1-oxidopurin-1-ium-6-amine hydrobromide

SMILES

Br.NC1=[N+]([O-])C=NC2=C1N=CN2CC3=CC=CC=C3

InChI

InChIKey=SFTORANIHXHLNG-UHFFFAOYSA-N
InChI=1S/C12H11N5O.BrH/c13-11-10-12(15-8-17(11)18)16(7-14-10)6-9-4-2-1-3-5-9;/h1-5,7-8H,6,13H2;1H

HIDE SMILES / InChI

Molecular Formula C12H11N5O
Molecular Weight 241.2486
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
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 Wed Apr 02 17:30:10 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:10 GMT 2025
Record UNII
X8AFH3BV5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9H-Purin-6-amine, 9-(phenylmethyl)-, 1-oxide, hydrobromide (1:1)
Preferred Name English
9-benzyl-1-oxidopurin-1-ium-6-amine hydrobromide
Systematic Name English
Adenine, 9-benzyl-, 1-oxide, monohydrobromide
Systematic Name English
Code System Code Type Description
CAS
4261-15-8
Created by admin on Wed Apr 02 17:30:10 GMT 2025 , Edited by admin on Wed Apr 02 17:30:10 GMT 2025
PRIMARY
FDA UNII
X8AFH3BV5P
Created by admin on Wed Apr 02 17:30:10 GMT 2025 , Edited by admin on Wed Apr 02 17:30:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE