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Details

Stereochemistry RACEMIC
Molecular Formula C10H15N3O3
Molecular Weight 225.2444
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANOL

SMILES

CN(CCCC(O)C1=C[N+]([O-])=CC=C1)N=O

InChI

InChIKey=DKBKTKUNVONEGX-UHFFFAOYSA-N
InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANOL
Systematic Name English
NNAL-N-OXIDE
Preferred Name English
3-PYRIDINEMETHANOL, .ALPHA.-(3-(METHYLNITROSOAMINO)PROPYL)-, 1-OXIDE
Systematic Name English
Code System Code Type Description
CAS
85352-99-4
Created by admin on Wed Apr 02 05:19:41 GMT 2025 , Edited by admin on Wed Apr 02 05:19:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID101005824
Created by admin on Wed Apr 02 05:19:41 GMT 2025 , Edited by admin on Wed Apr 02 05:19:41 GMT 2025
PRIMARY
FDA UNII
XE22YS2NLF
Created by admin on Wed Apr 02 05:19:41 GMT 2025 , Edited by admin on Wed Apr 02 05:19:41 GMT 2025
PRIMARY
PUBCHEM
150097
Created by admin on Wed Apr 02 05:19:41 GMT 2025 , Edited by admin on Wed Apr 02 05:19:41 GMT 2025
PRIMARY
NIH
NCATS
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