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Chemical structure of Isopentedrone hydrochloride

GC43916

Isopentedrone hydrochloride

Also listed as Isopentedrone (hydrochloride)

Pentedrone is a substituted cathinone and designer drug that is similar to methcathinone, a controlled psychoactive stimulant Isopentedrone is a variant of pentedrone in which the α-propyl and β-keto groups have switched positions

ChemicalCAS1429402-13-0MW227.7FormulaC12H17NO•HCl
CAS number
1429402-13-0
Molecular weight
227.7
Formula
C12H17NO•HCl
Solubility
DMF： 15 mg/ml,DMSO： 15 mg/ml,Ethanol： 20 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
GRVMWEMTEXKSKY-UHFFFAOYSA-N
Catalogue number
GC43916
Brand
GLPBIO
Computed properties PubChem CID 131848013 · TPSA 29.1 Ų · H-bond donors 2 · H-bond acceptors 2
TPSA
29.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15

SMILES CCCC(=O)C(C1=CC=CC=C1)NC.Cl

Computed descriptors from PubChem (CID 131848013), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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