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Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO.ClH
Molecular Weight 281.821
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-.ALPHA.-PYRROLIDINOVALEROPHENONE HYDROCHLORIDE

SMILES

Cl.CCCC(N1CCCC1)C(=O)C2=C(C)C=CC=C2

InChI

InChIKey=CNBANAAMBTWXMG-UHFFFAOYSA-N
InChI=1S/C16H23NO.ClH/c1-3-8-15(17-11-6-7-12-17)16(18)14-10-5-4-9-13(14)2;/h4-5,9-10,15H,3,6-8,11-12H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-METHYL-.ALPHA.-PYRROLIDINOVALEROPHENONE HYDROCHLORIDE
Systematic Name English
1-PENTANONE, 1-(2-METHYLPHENYL)-2-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)
Preferred Name English
2-(PYRROLIDIN-1-YL)-1-(O-TOLYL)PENTAN-1-ONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101342783
Created by admin on Wed Apr 02 12:58:06 GMT 2025 , Edited by admin on Wed Apr 02 12:58:06 GMT 2025
PRIMARY
FDA UNII
PQL9SS8RNF
Created by admin on Wed Apr 02 12:58:06 GMT 2025 , Edited by admin on Wed Apr 02 12:58:06 GMT 2025
PRIMARY
CAS
850352-13-5
Created by admin on Wed Apr 02 12:58:06 GMT 2025 , Edited by admin on Wed Apr 02 12:58:06 GMT 2025
PRIMARY
PUBCHEM
11550924
Created by admin on Wed Apr 02 12:58:06 GMT 2025 , Edited by admin on Wed Apr 02 12:58:06 GMT 2025
PRIMARY
NIH
NCATS
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