EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232145 - iometopane

Default Structure
ChEBI IDCHEBI:232145
ChEBI Nameiometopane
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC16H20INO2
Net Charge0
Average Mass385.245
Monoisotopic Mass385.05388
SMILES[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(c1ccc(I)cc1)C2
InChIInChI=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-/m0/s1
InChIKeySIIICDNNMDMWCI-YJNKXOJESA-N
ChEBI Ontology
Outgoing Relation(s)
iometopane (CHEBI:232145) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Registry NumbersSources
CAS:135416-43-2SUBMITTER