cocaethylene
Chemical Formula:
C18H24NO4
Molecular Weight:
318.392 Daltons
Monoisotopic Mass:
318.170533264 Daltons
SMILES:
CCOC(=O)C2([CH]3([N+](C)[CH](CC(OC(C1(C=CC=CC=1))=O)2)CC3))
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/p+1/t13-,14+,15-,16+/m0/s1
InChIKey:
Synonyms
- ethylbenzoylecgonine
Databases
MetaCyc:
CPD-14390
PubChem (CID):
40479688
Wikipedia:
Cocaethylene
Seed:
cpd24339
HMDB:
HMDB41860
MetaNetX:
MNXM16810