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CHEBI:177444 - 4-(2-(2-Chlorophenyl)ethyl)amino-8-methoxy-3,10-dimethyl-2,9-dioxatricyclo(4,3,1,0(3,7))decane

ChEBI IDCHEBI:177444
ChEBI Name4-(2-(2-Chlorophenyl)ethyl)amino-8-methoxy-3,10-dimethyl-2,9-dioxatricyclo(4,3,1,0(3,7))decane
Stars
Last Modified23 February 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26ClNO3
Net Charge0
Average Mass351.874
Monoisotopic Mass351.16012
SMILES[H][C@]12O[C@H](OC)[C@]3([H])[C@@]([H])(C[C@H](NCCc4ccccc4Cl)[C@@]3(C)O1)[C@@H]2C
InChIInChI=1S/C19H26ClNO3/c1-11-13-10-15(21-9-8-12-6-4-5-7-14(12)20)19(2)16(13)18(22-3)23-17(11)24-19/h4-7,11,13,15-18,21H,8-10H2,1-3H3/t11-,13-,15-,16-,17-,18-,19+/m0/s1
InChIKeyLEZRPUQAMHWLNN-PCVUGLTOSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-(2-(2-Chlorophenyl)ethyl)amino-8-methoxy-3,10-dimethyl-2,9-dioxatricyclo(4,3,1,0(3,7))decane (CHEBI:177444) is a primary amine (CHEBI:32877)
IUPAC Name 
(1R,3S,4S,6S,7R,8S,10S)-N-[2-(2-chlorophenyl)ethyl]-8-methoxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-amine
Manual XrefsDatabases
111791ChemSpider
Registry NumbersSources
CAS:68163-03-1ChemIDplus