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519-09-5

519-09-5 Structure

519-09-5 Structure
IdentificationBack Directory
[Name]

BENZOYLECGONINE
[CAS]

519-09-5
[Synonyms]

BENZOYLECGONINE
Benzoylecogonine
O-Benzoylecgonin
Ecgonine benzoate
o-Benzoyl-(-)-ecgonine
benzoylecgonine solution
Benzoylecgonine tetrahydrate
BENZOYLECGONINE,100/MLINMETHANOL
benzoylecgonine methanol solution
BENZOYLECGONINE COCAINE METABOLITE
BENZOYLECGONINE,1.0MG/MLINMETHANOL
Methanol (test Benzoylecgonine, 1.0 mg/Ml)
benzoylecgonine hydrate--dea schedule*ii item
3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl
1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, benzoate (ester)
(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid
[1S,5R,(+)]-3β-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid
8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-Methyl-, (1R,2R,3S,5S)-
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-
[EINECS(EC#)]

208-263-5
[Molecular Formula]

C16H19NO4
[MDL Number]

MFCD00070263
[MOL File]

519-09-5.mol
[Molecular Weight]

289.33
Chemical PropertiesBack Directory
[Appearance]

Crystalline Solid
[Melting point ]

1950C (dec)
[Boiling point ]

431.49°C (rough estimate)
[density ]

1.1267 (rough estimate)
[refractive index ]

1.5500 (estimate)
[Fp ]

11 °C
[storage temp. ]

2-8°C
[solubility ]

DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 3 mg/ml
[form ]

A neat solid
[pka]

pKa 11.80 (Uncertain)
[CAS DataBase Reference]

519-09-5
[EPA Substance Registry System]

8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)- (519-09-5)
Hazard InformationBack Directory
[Chemical Properties]

Crystalline Solid
[Uses]

A metabolite of Cocaine. Controlled substance
[Definition]

ChEBI: A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25-25
[Safety Statements ]

16-36/37-45-7
[RIDADR ]

UN 1230 3/PG 2
[WGK Germany ]

1
[HazardClass ]

6.1(a)
[PackingGroup ]

II
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