DOXYLAMINE

Search structure
Synonyms:
Status: Approved (1948)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AA09
UNII: 95QB77JKPL

Structure
InChI Key HCFDWZZGGLSKEP-UHFFFAOYSA-N
Smile CN(C)CCOC(C)(c1ccccc1)c1ccccn1
InChI
InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N2O
Molecular Weight 270.38
AlogP 2.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 25.36
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 51380
ChEMBL CHEMBL1004
DrugBank DB00366
DrugCentral 962
EPA CompTox DTXSID1022970
FDA SRS 95QB77JKPL
Human Metabolome Database HMDB0001936
Guide to Pharmacology 7171
PharmGKB PA449419
PubChem 3162
SureChEMBL SCHEMBL4709
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