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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL333195
CHEMBL333195
Compound Name
ChEMBL Synonyms N-Methylglucamine
Max Phase 0
Trade Names
Molecular Formula C7H17NO5

Additional synonyms for CHEMBL333195 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCC(O)C(O)C(O)C(O)CO
Standard InChI InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H ...
Download InChI
Standard InChI Key MBBZMMPHUWSWHV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL333195

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
195.2 195.1107 -2.8 6 113.18 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.47 9.17 -2.51 -4.38 0 13 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL333195. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MBBZMMPHUWSWHV-UHFFFAOYSA-N
PubChem SID: 24840636 SID: 29217883

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL333195



ACToR 6284-40-8
ChEBI 95217
eMolecules 711549
IBM Patent System 9AC740E393EC76AB01AB9315497885C0
LINCS LSM-6514
Mcule MCULE-4967069764
MolPort MolPort-000-847-891
Nikkaji J25.796F
PubChem 4049
PubChem: Thomson Pharma 16725421
SureChEMBL SCHEMBL5584

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