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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15N3O3
Molecular Weight 225.2444
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CN(CCC[C@@H](O)C1=C[N+]([O-])=CC=C1)N=O

InChI

InChIKey=DKBKTKUNVONEGX-SNVBAGLBSA-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/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H15N3O3
Molecular Weight 225.2444
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:23:59 UTC 2023
Edited
by admin
on Sat Dec 16 18:23:59 UTC 2023
Record UNII
9MT9375TCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANOL, (R)-
Systematic Name English
3-PYRIDINEMETHANOL, .ALPHA.-(3-(METHYLNITROSOAMINO)PROPYL)-, 1-OXIDE, (.ALPHA.R)-
Systematic Name English
NNAL-N-OXIDE, (R)-
Common Name English
Code System Code Type Description
FDA UNII
9MT9375TCH
Created by admin on Sat Dec 16 18:24:00 UTC 2023 , Edited by admin on Sat Dec 16 18:24:00 UTC 2023
PRIMARY
PUBCHEM
40574429
Created by admin on Sat Dec 16 18:24:00 UTC 2023 , Edited by admin on Sat Dec 16 18:24:00 UTC 2023
PRIMARY PUBCHEM
CAS
762268-58-6
Created by admin on Sat Dec 16 18:24:00 UTC 2023 , Edited by admin on Sat Dec 16 18:24:00 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
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PARENT -> METABOLITE LESS ACTIVE