DOPEXAMINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01CA14
UNII: 398E7Z7JB5

Structure
InChI Key RYBJORHCUPVNMB-UHFFFAOYSA-N
Smile Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
InChI
InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32N2O2
Molecular Weight 356.51
AlogP 3.62
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 64.52
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock, Septic 2 D012772 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 86197-47-9
ChEBI 135507
ChEMBL CHEMBL77622
DrugBank DB12313
DrugCentral 948
EPA CompTox DTXSID2048666
FDA SRS 398E7Z7JB5
Human Metabolome Database HMDB0041882
PubChem 55483
SureChEMBL SCHEMBL122233
ZINC ZINC000003798745
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