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bedaquiline(2+)

CHEBI:CHEBI_72706

Definition

An ammonium ion resulting from the protonation of both nitrogen atoms of bedaquiline.

Chemical Information

Molecular Formula
C32H33BrN2O2
Molecular Mass
557.52100
Charge
+2
SMILES
COc1[nH+]c2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CC[NH+](C)C)c1cccc2ccccc12
InChI
InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/p+2/t30-,32-/m1/s1
InChIKey
QUIJNHUBAXPXFS-XLJNKUFUSA-P

Alternative Names

  • 6-bromo-3-[(1R,2S)-4-(dimethylammonio)-2-hydroxy-2-(1-naphthyl)-1-phenylbutyl]-2-methoxyquinolinium

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:72706

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Additional Attributes

chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_72292
owl#someValuesFrom
t278966
owl#annotatedSource
t280046
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:72706
core#notation
CHEBI:72706
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_72292
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class