ADENINE 1-OXIDE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H5N5O
Molecular Weight	151.1261
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ADENINE 1-OXIDE

Structure Search

SMILES

NC1=[N+]([O-])C=NC2=C1NC=N2

InChI

InChIKey=TXTRWVWGYHUIAI-UHFFFAOYSA-N

InChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2H,6H2,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula	C5H5N5O
Molecular Weight	151.1261
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 19:15:06 GMT 2025` Edited by `admin` on `Mon Mar 31 19:15:06 GMT 2025`
Record UNII	G38YA4XN2P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-110037

Preferred Name

English

ADENINE 1-OXIDE

Common Name

English

ADENINE N1-OXIDE

Common Name

English

9H-PURIN-6-AMINE, 1-OXIDE

Systematic Name

English

3H-PURIN-6-AMINE, 1-OXIDE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

211-835-7

Created by admin on Mon Mar 31 19:15:06 GMT 2025 , Edited by admin on Mon Mar 31 19:15:06 GMT 2025

PRIMARY

CAS

700-02-7

Created by admin on Mon Mar 31 19:15:06 GMT 2025 , Edited by admin on Mon Mar 31 19:15:06 GMT 2025

PRIMARY

EPA CompTox

DTXSID40901683

Created by admin on Mon Mar 31 19:15:06 GMT 2025 , Edited by admin on Mon Mar 31 19:15:06 GMT 2025

PRIMARY

FDA UNII

G38YA4XN2P

Created by admin on Mon Mar 31 19:15:06 GMT 2025 , Edited by admin on Mon Mar 31 19:15:06 GMT 2025

PRIMARY

NSC

110037

Created by admin on Mon Mar 31 19:15:06 GMT 2025 , Edited by admin on Mon Mar 31 19:15:06 GMT 2025

PRIMARY