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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

Structural Alerts

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

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

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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