OXTRIPHYLLINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1981)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3K045XR58X

Structure
InChI Key RLANKEDHRWMNRO-UHFFFAOYSA-M
Smile C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O
InChI
InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N5O3
Molecular Weight 283.33
AlogP -1.04
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 72.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine receptor antagonist Wikipedia PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 4499-40-5
ChEBI 15354
ChEMBL CHEMBL1200434
DrugBank DB01303
EPA CompTox DTXSID20894867
FDA SRS 3K045XR58X
Guide to Pharmacology 4551
KEGG C00114
PDB CHT
SureChEMBL SCHEMBL152854
ZINC ZINC03079337
CONTENTS