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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282468
CHEMBL282468
Compound Name CHOLINE CHLORIDE
ChEMBL Synonyms CHOLINE C-11 | CHOLINE CHLORIDE
Max Phase 4 (Approved)
Trade Names CHOLINE C-11
Molecular Formula C5H14ClNO

Additional synonyms for CHEMBL282468 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].C[N+](C)(C)CCO
Standard InChI InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1; ...
Download InChI
Standard InChI Key SGMZJAMFUVOLNK-UHFFFAOYSA-M

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL282468

Molecule Features

CHEMBL282468 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov CHOLINE CHLORIDE
The Cochrane Collaboration CHOLINE CHLORIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL282468

Compound Cross References

ChemSpider ChemSpider:SGMZJAMFUVOLNK-UHFFFAOYSA-M
DailyMed choline c-11
PubChem SID: 144207690 SID: 26748816
Wikipedia Choline_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282468



ACToR 67-48-1
Brenda 6500
ChEBI 133341
eMolecules 490946
EPA CompTox Dashboard DTXSID4020325
FDA SRS 45I14D8O27
Mcule MCULE-7472714268
MolPort MolPort-001-785-869
NMRShiftDB 10016951
PubChem 6209 522265
PubChem: Thomson Pharma 15146703
Selleck choline-chloride
SureChEMBL SCHEMBL14957

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SGMZJAMFUVOLNK-UHFFFAOYSA-M spacer
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