The 57-year-old legendary singer was found dead at his Paisley Park home in April and according to the autopsy report, the death was from an accidental overdose of fentanyl.
The new details have been reported by Minneapolis Star Tribune, which has quoted an insider with knowledge of the investigation.
Prince did not possess a prescription for fentanyl, a synthetic opioid that has been described 50 times more potent than heroin and up to 100 times more potent than morphine.
They, however, are leaning towards the theory that he took the pills not knowing they contained the drug.
Fentanyl, the most powerful painkiller on the market, is normally prescribed to cancer patients in extreme pain.
It is also used to ease the pain of someone who is dying or as part of anesthesia during surgery. But illegally manufactured fentanyl pills are readily available across America, reported CNN.
DEA (Drug Enforcement Administration) has also been involved with the case alongwith the Carver County Sheriff's office.
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