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Cocaethylene
MNXM16810 is deprecated and here replaced by MNXM731392
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM731392 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C18H23NO4 |
| charge | 0 |
| mass | 317.16271 |
| reference | hmdb:HMDB0041860 |
| InChIKey | NMPOSNRHZIWLLL-UHFFFAOYSA-N |
| 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 |
| SMILES | CCOC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
| hmdb:HMDB0041860
| Cocaethylene
Benzoylecgonine ethyl ester
Coca-ethylene
Ethyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Ethylbenzoylecgonine
Ethylcocaine
Homocaine
Thylbenzoylecgonine (cocaethylene)
ethyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
|
| hmdb:HMDB41860
| secondary/obsolete/fantasy identifier
|
