U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11N2O.Br
Molecular Weight 243.1
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALLOXIMUM

SMILES

[Br-].O\N=C\C1=CC=CC=[N+]1CC=C

InChI

InChIKey=KMZVXZYMDNNKAJ-UHFFFAOYSA-N
InChI=1S/C9H10N2O.BrH/c1-2-6-11-7-4-3-5-9(11)8-10-12;/h2-5,7-8H,1,6H2;1H

HIDE SMILES / InChI
Molecular Formula C9H10N2O
Molecular Weight 162.1885
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:45:07 GMT 2023
Edited
by admin
on Sat Dec 16 09:45:07 GMT 2023
Record UNII
NAM8F7RBGV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOXIMUM
Common Name English
PYRIDINIUM, 2-((HYDROXYIMINO)METHYL)-1-(2-PROPEN-1-YL)-, BROMIDE (1:1)
Systematic Name English
Alloximum [WHO-DD]
Common Name English
Alloxime [WHO-DD]
Common Name English
1-ALLYL-2-FORMYLPYRIDINIUM BROMIDE, OXIME
Systematic Name English
ALLOXIM
Common Name English
ALLOXIME
Common Name English
PYRIDINIUM, 2-((HYDROXYIMINO)METHYL)-1-(2-PROPENYL)-, BROMIDE
Systematic Name English
Code System Code Type Description
SMS_ID
100000178343
Created by admin on Sat Dec 16 09:45:07 GMT 2023 , Edited by admin on Sat Dec 16 09:45:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID50694271
Created by admin on Sat Dec 16 09:45:07 GMT 2023 , Edited by admin on Sat Dec 16 09:45:07 GMT 2023
PRIMARY
EVMPD
SUB194071
Created by admin on Sat Dec 16 09:45:07 GMT 2023 , Edited by admin on Sat Dec 16 09:45:07 GMT 2023
PRIMARY
FDA UNII
NAM8F7RBGV
Created by admin on Sat Dec 16 09:45:07 GMT 2023 , Edited by admin on Sat Dec 16 09:45:07 GMT 2023
PRIMARY
CAS
79134-02-4
Created by admin on Sat Dec 16 09:45:07 GMT 2023 , Edited by admin on Sat Dec 16 09:45:07 GMT 2023
PRIMARY
PUBCHEM
2766900
Created by admin on Sat Dec 16 09:45:07 GMT 2023 , Edited by admin on Sat Dec 16 09:45:07 GMT 2023
PRIMARY
Related Record Type Details
Structure of ALLOXIMUM CATION
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of ALLOXIMUM CATION
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966