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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282468
CHEMBL282468
Compound Name CHOLINE CHLORIDE
ChEMBL Synonyms Choline Chloride | Choline (11C)
Max Phase 4 (Approved)
Trade Names Choline (11C)
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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL282468

Alternate Forms of Compound in ChEMBL


CHEMBL282468

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
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HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
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ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Compound Cross References

ChemSpider ChemSpider:SGMZJAMFUVOLNK-UHFFFAOYSA-M
PubChem SID: 144207690 SID: 26748816
Wikipedia Choline_chloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282468



ACToR 67-48-1
ChEBI 133341
eMolecules 490946
FDA SRS 45I14D8O27
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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