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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63558
CHEMBL63558
Compound Name MALTITOL
ChEMBL Synonyms Maltitol | E965
Max Phase 0
Trade Names
Molecular Formula C12H24O11

Additional synonyms for CHEMBL63558 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O) ...
Download SMILES
Standard InChI InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21) ...
Download InChI
Standard InChI Key VQHSOMBJVWLPSR-WUJBLJFYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL63558

Molecule Features

CHEMBL63558 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov MALTITOL
The Cochrane Collaboration MALTITOL

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
344.3 344.1319 -4.69 8 200.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 9 2 11 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.84 - -4.68 -4.68 0 23 0.21

Structural Alerts

There are 3 structural alerts for CHEMBL63558. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VQHSOMBJVWLPSR-WUJBLJFYSA-N
PubChem SID: 56424023
Wikipedia Maltitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63558



Brenda 1414
ChEBI 68428
eMolecules 714726 30069653
EPA CompTox Dashboard DTXSID0044444
FDA SRS D65DG142WK
Human Metabolome Database HMDB0002928
IBM Patent System D36ADFA44D587AB403431FAFA6FA1790
Metabolights MTBLC68428
MolPort MolPort-006-111-945
Nikkaji J60.868H
PubChem 493591
PubChem: Thomson Pharma 14925057
SureChEMBL SCHEMBL15108
ZINC ZINC000004262249

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VQHSOMBJVWLPSR-WUJBLJFYSA-N spacer
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