PHOLCODINE


Synonyms	Biocalyptol Codylin DEA NO. 9314 Dia-tuss Ethnine Ethnine simplex Evaphol Evaphol strong Folcodine Galenphol Glycodine Gppe linct Hibernyl Homocodeine Memine Morpholinylethylmorphine Neocodine Pavacol-d Pholcodine Pholcodine monohydrate Pholcomed fte Pholtex Sancos co Tixylix daytime Tixylix dry cough Tixylix night cough Tixylix night-time Tussokon Weifacodine
Status
Molecule Category	Free-form
ATC	R05DA08
UNII	LPP64AWZ7L
EPA CompTox	DTXSID70198923


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	GPFAJKDEDBRFOS-FKQDBXSBSA-N
Smiles	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

Related Entries

Cross References

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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).