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Ethylbenzoylecgonine

MNXM16810 is deprecated and here replaced by MNXM731392
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731392 Image of MNXM731392
referencechebi:182818
formulaC18H23NO4
global charge0
mol weight317.385
InChIKeyNMPOSNRHZIWLLL-UHFFFAOYSA-N
InChIInChI=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
SMILESCCOC(=O)C1C(OC(=O)C2=CC=CC=C2)CC2CCC1N2C
MNX internals
InChI (mnx)InChI=1/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? Image of MNXM731392
SMILES (mnx)[CH3:1][CH2:3][O:22][C:18]([CH:16]1[CH:14]2[CH2:10][CH2:9][CH:13]([CH2:11][CH:15]1[O:23][C:17]([C:12]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)=[O:20])[N:19]2[CH3:2])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:182818
chebi:182818
NMPOSNRHZIWLLL-UHFFFAOYSA-N 		Ethylbenzoylecgonine
ethyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
hmdb:HMDB0041860
NMPOSNRHZIWLLL-UHFFFAOYSA-N 		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