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

Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO3.ClH
Molecular Weight 313.82
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ISOBUTYL PENTYLONE HYDROCHLORIDE

SMILES

Cl.CCCC(NCC(C)C)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=ODFPMGNWXJMMTQ-UHFFFAOYSA-N
InChI=1S/C16H23NO3.ClH/c1-4-5-13(17-9-11(2)3)16(18)12-6-7-14-15(8-12)20-10-19-14;/h6-8,11,13,17H,4-5,9-10H2,1-3H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-ISOBUTYL PENTYLONE HYDROCHLORIDE
Systematic Name English
1-(BENZO(D)(1,3)DIOXOL-5-YL)-2-(ISOBUTYLAMINO)PENTAN-1-ONE HYDROCHLORIDE
Preferred Name English
Code System Code Type Description
FDA UNII
74LE45NFJ4
Created by admin on Wed Apr 02 10:33:05 GMT 2025 , Edited by admin on Wed Apr 02 10:33:05 GMT 2025
PRIMARY
PUBCHEM
165362248
Created by admin on Wed Apr 02 10:33:05 GMT 2025 , Edited by admin on Wed Apr 02 10:33:05 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
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