CHEBI:125381 - (1R,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
ChEBI ID CHEBI:125381
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H20INO2
Net Charge 0
Average Mass 385.241
Monoisotopic Mass 385.05387
InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1
InChIKey SIIICDNNMDMWCI-LMRVLLHPSA-N
SMILES CN1[C@@H]2CCC1C([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC
ChEBI Ontology
Outgoing (1R,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester (CHEBI:125381) has parent hydride tropane (CHEBI:35615)
(1R,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester (CHEBI:125381) is a azabicycloalkane (CHEBI:38295)
Manual Xref Database
LSM-36863 LINCS
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