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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607023
CHEMBL607023
Compound Name TEMPOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H18NO2

Additional synonyms for CHEMBL607023 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC(O)CC(C)(C)N1[O]
Standard InChI InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2 ...
Download InChI
Standard InChI Key UZFMOKQJFYMBGY-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL607023. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL607023

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
172.2 172.1338 0.41 0 43.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.15 .63 .63 0 12 0.58

Compound Cross References

ChemSpider ChemSpider:UZFMOKQJFYMBGY-UHFFFAOYSA-N
PubChem SID: 144211189 SID: 174006259
Wikipedia 4-Hydroxy-TEMPO

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607023



ACToR 3637-10-3 2226-96-2 105269-77-0
Atlas tempol
eMolecules 485517
FDA SRS U78ZX2F65X
IBM Patent System 414E313D07C8BB27C78D1ADC58A189E7 D940E37223F435FF112B342C0DE848FF
IBM Patents EP1106732A2 US20030190467 EP1465778B1 EP1590312A2 US20060160956 US20020005262 US7119224 EP2139965A1 US20100282422 US6509494 US20090281246 WO2006036426A1 EP0685447B2 US20040010159 EP2010169A2 US20090084667 EP1466885A2 US20100239506 EP1958020B1 US20020008010 US5616753 US20060151309 US7569655 US6793686 US20100284939 US5087752 US6676808 US20050090703 US7579401 WO2007021897A1 US6635755 US20100047518 US20090069469 EP1791903A1 EP2042579A1 US20050196609 EP2226414A1 US6008303 US20080167229 US20070037821 US20080231798 EP1647543A1 US20060074257 WO1999013875A1 EP1706433B1 US7795467 US20050161210 EP2236647A1 EP2074165A2 WO2004048266A1 EP1753714A2 US7300555 US20010034415 WO2001022127A1 US20090093587 US20030215745 WO2000055211A1 WO2006052899A2 US7323528 EP2173838A1 WO2009005642A1 WO2007146509A1 WO2007062691A1 EP2076583A1 EP1489153A1 US20070093607 EP1311472A2 EP2266622A2 EP1794106B1 EP1794107B1 EP2056813A1 EP1894060A1 US7514142 US20060160985 US20080108752 US20050027150 US6235931 WO2009003744A1 US20070015938 US20070240606 WO2004026922A1 US20080207789 US20100152435 US20050059748 EP1273589B1 EP1288185A2 US20040026662 EP1674440A1 WO2007143848A1 US20100261896 EP1535894A1 EP1869062A1 WO2004048472A2 WO2001000681A1 WO2008048824A1 US20100127218 EP1446450A1 EP1408101A1 EP2230328A1 WO2009092683A2
MolPort MolPort-000-156-390
Nikkaji J370.334G J119.381C
PubChem 137994
PubChem: Thomson Pharma 15321927
Selleck tempol-4-hydroxy-tempo
SureChEMBL SCHEMBL23234

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