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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=CC=C2OCOC2=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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H23NO3
Molecular Weight 277.3587
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:16:18 GMT 2023
Edited
by admin
on Sat Dec 16 18:16:18 GMT 2023
Record UNII
74LE45NFJ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ISOBUTYL PENTYLONE HYDROCHLORIDE
Systematic Name English
1-(BENZO(D)(1,3)DIOXOL-5-YL)-2-(ISOBUTYLAMINO)PENTAN-1-ONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
74LE45NFJ4
Created by admin on Sat Dec 16 18:16:18 GMT 2023 , Edited by admin on Sat Dec 16 18:16:18 GMT 2023
PRIMARY
PUBCHEM
165362248
Created by admin on Sat Dec 16 18:16:18 GMT 2023 , Edited by admin on Sat Dec 16 18:16:18 GMT 2023
PRIMARY
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