LN-512533
COCAETHYLENE , 99 , 529-38-4
Synonym(s):
Benzoylecgonine ethyl ester
Update time: 2023-04-23
PRODUCT Properties
| Melting point: | 1090C |
| Boiling point: | 408.8±45.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| Flash point: | 2 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly) |
| form | Solid |
| pka | 9.04±0.60(Predicted) |
| color | Whitee to Off-White |
| InChI | InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1 |
| InChIKey | NMPOSNRHZIWLLL-XUWVNRHRSA-N |
| SMILES | [C@@]12([H])N(C)[C@@]([H])(CC1)C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2C(OCC)=O |
| EPA Substance Registry System | 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)- (529-38-4) |
Description and Uses
Homolog of Cocaine (C633500). Anesthetic (local). High-affinity ligand for dopamine transporter; a metabolite of Cocaine when alcohol is concommitently abused. Controlled substance.
Safety
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H302+H332-H319 |
| Precautionary statements | P210-P305+P351+P338 |
| Hazard Codes | T,Xn,F |
| Risk Statements | 25-36-20/21/22-11 |
| Safety Statements | 45-36/37-16-26 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | CL5602980 |
