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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15N5O
Molecular Weight 317.3446
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Benzhydryladenine 1-oxide

SMILES

NC1=[N+]([O-])C=NC2=C1N=CN2C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=JEXVOGNRCWDQFR-UHFFFAOYSA-N
InChI=1S/C18H15N5O/c19-17-15-18(21-12-23(17)24)22(11-20-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H,19H2

HIDE SMILES / InChI

Molecular Formula C18H15N5O
Molecular Weight 317.3446
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 21:51:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:51:11 GMT 2025
Record UNII
6MEG56F6UC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9H-Purin-6-amine, 9-(diphenylmethyl)-, 1-oxide
Preferred Name English
9-Benzhydryladenine 1-oxide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70924143
Created by admin on Mon Mar 31 21:51:11 GMT 2025 , Edited by admin on Mon Mar 31 21:51:11 GMT 2025
PRIMARY
PUBCHEM
147704
Created by admin on Mon Mar 31 21:51:11 GMT 2025 , Edited by admin on Mon Mar 31 21:51:11 GMT 2025
PRIMARY
FDA UNII
6MEG56F6UC
Created by admin on Mon Mar 31 21:51:11 GMT 2025 , Edited by admin on Mon Mar 31 21:51:11 GMT 2025
PRIMARY
CAS
122365-35-9
Created by admin on Mon Mar 31 21:51:11 GMT 2025 , Edited by admin on Mon Mar 31 21:51:11 GMT 2025
PRIMARY