CHEBI:125845 - N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)-N-propan-2-ylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)-N-propan-2-ylacetamide
ChEBI ID CHEBI:125845
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H37N3O2
Net Charge 0
Average Mass 399.570
Monoisotopic Mass 399.28858
InChI InChI=1S/C24H37N3O2/c1-17(2)27(23(29)15-26(3)4)14-21-24(22(16-28)25-21)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h8,10-13,17,21-22,24-25,28H,5-7,9,14-16H2,1-4H3/t21-,22-,24-/m1/s1
InChIKey XFERKZADWBLNSR-CQOQZXRMSA-N
SMILES CC(C)N(C[C@@H]1[C@H]([C@H](N1)CO)C2=CC=C(C=C2)C3=CCCCC3)C(=O)CN(C)C
ChEBI Ontology
Outgoing N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)-N-propan-2-ylacetamide (CHEBI:125845) is a azetidines (CHEBI:38777)
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)-N-propan-2-ylacetamide (CHEBI:125845) is a benzenes (CHEBI:22712)
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)-N-propan-2-ylacetamide (CHEBI:125845) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37412 LINCS
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