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CHEBI:134688 - naltrexone(1+)

ChEBI IDCHEBI:134688
ChEBI Namenaltrexone(1+)
Stars
DefinitionAn organic cation that is conjugate acid of naltrexone resulting from the protonation of the amino group; Major species at pH 7.3.
Last Modified14 March 2025
SubmitterSteve
DownloadsMolfile
FormulaC20H24NO4
Net Charge+1
Average Mass342.415
Monoisotopic Mass342.16998
SMILESO=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[NH+]3CC2CC2)[C@H]1O5
InChIInChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/p+1/t15-,18+,19+,20-/m1/s1
InChIKeyDQCKKXVULJGBQN-XFWGSAIBSA-O
ChEBI Ontology
Outgoing Relation(s)
naltrexone(1+) (CHEBI:134688) is a ammonium ion derivative (CHEBI:35274)
naltrexone(1+) (CHEBI:134688) is a organic cation (CHEBI:25697)
naltrexone(1+) (CHEBI:134688) is conjugate acid of naltrexone (CHEBI:7465)
Incoming Relation(s)
naltrexone hydrochloride (CHEBI:134687) has part naltrexone(1+) (CHEBI:134688)
naltrexone (CHEBI:7465) is conjugate base of naltrexone(1+) (CHEBI:134688)
IUPAC Name 
(5α,17R)-17-(cyclopropylmethyl)-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-17-ium
Synonym  Source
naltrexone cationChEBI