PROPANTHELINE

Search structure
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB05
UNII: 1306V2B0Q8

Structure
InChI Key VVWYOYDLCMFIEM-UHFFFAOYSA-N
Smile CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
InChI
InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30NO3+
Molecular Weight 368.5
AlogP 4.73
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 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8481
ChEMBL CHEMBL1180725
DrugBank DB00782
DrugCentral 2293
EPA CompTox DTXSID6047230
FDA SRS 1306V2B0Q8
Human Metabolome Database HMDB0014920
Guide to Pharmacology 329
KEGG C07506
PharmGKB PA164746224
PubChem 4934
SureChEMBL SCHEMBL80089
ZINC ZINC000001530761
CONTENTS