PHOLCODINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: R05DA08
UNII: LPP64AWZ7L

Structure
InChI Key GPFAJKDEDBRFOS-FKQDBXSBSA-N
Smile CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
InChI
InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30N2O4
Molecular Weight 398.5
AlogP 1.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.4
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 53579
ChEMBL CHEMBL2105224
DrugBank DB09209
DrugCentral 2154
EPA CompTox DTXSID70198923
FDA SRS LPP64AWZ7L
Human Metabolome Database HMDB0041984
Guide to Pharmacology 9086
PubChem 5311356
SureChEMBL SCHEMBL154354
ZINC ZINC000004217287
CONTENTS