METHANTHELINE

Search structure
Synonyms:
Status: Approved (1951)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB07
UNII: 36EI79TX7I

Structure
InChI Key GZHFODJQISUKAY-UHFFFAOYSA-N
Smile CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21
InChI
InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26NO3+
Molecular Weight 340.44
AlogP 3.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Neurogenic 1 D001750 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6817
ChEMBL CHEMBL1201264
DrugBank DB00940
DrugCentral 1736
EPA CompTox DTXSID7046964
FDA SRS 36EI79TX7I
Human Metabolome Database HMDB0015075
KEGG C07849
PharmGKB PA164747037
PubChem 4097
SureChEMBL SCHEMBL77917
ZINC ZINC000001530932
CONTENTS