BENZOYLECGONINE
- CAS NO.:519-09-5
- Empirical Formula: C16H19NO4
- Molecular Weight: 289.33
- MDL number: MFCD00070263
- EINECS: 208-263-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-06-08 09:03:06
What is BENZOYLECGONINE?
Chemical properties
Crystalline Solid
The Uses of BENZOYLECGONINE
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.
Properties of BENZOYLECGONINE
Melting point: | 1950C (dec) |
Boiling point: | 431.49°C (rough estimate) |
Density | 1.1267 (rough estimate) |
refractive index | 1.5500 (estimate) |
Flash point: | 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) |
Safety information for BENZOYLECGONINE
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation H370:Specific target organ toxicity, single exposure |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for BENZOYLECGONINE
New Products
ALUMINIUM IODIDE 100 GM BUFFER CAPSULE PH 7.0 - 10 CAP BUFFER SOLUTION PH 9.5 (BORATE) EZEE BLUE GEL STAINER BORAX CARMINE (GRENACHERS ALCOHOLIC) POTASSIUM IODATE - IODIDE SOLN 0.1 N Dabigatran Acyl-O3-D-Glucuronide Trifluoroacetic Acid Salt Isofolic Acid Dabigatran 2-O-acylglucuronide metabolite Dabigatran Acyl-?-D- glucuronide Trifluroacetic Acid Erythromycin EP Impurity A Desloratidine Related Compound ARelated products of tetrahydrofuran
P-HYDROXYBENZOYLECGONINE
COCAINE, LEVO-[BENZOYL-3,4-3H(N)]-
M-HYDROXYCOCAINE
Benzoylecgonine propyl
1-alpha-H,5-alpha-H-Tropanium, 2-beta-carboxy-3-beta-hydroxy-8-methyl- , iodide, methyl ester, benzoate
O-Benzoylecgonine-d,BENZOYLECGONINE-N-METHYL-D3,BENZOYLECGONINE-D3
BENZOYLECGONINE-D3 TETRAHYDRATE
COCAINE-D3
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