TRIPELENNAMINE CITRATE

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Trade Names:
Synonyms:
Status: Approved (1948)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 30OC46A3J9

Structure
InChI Key GGRBYIUPUOYRLQ-UHFFFAOYSA-N
Smile CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29N3O7
Molecular Weight 447.49
AlogP 2.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 19.37
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
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Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1200769
EPA CompTox DTXSID8045989
FDA SRS 30OC46A3J9
PubChem 197066
SureChEMBL SCHEMBL99166
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