PROPIOMAZINE


Synonyms	CB 1678 CB-1678 Dorevan Dorevane Indorm Largon Propavan Propiomazine WY-1359
Status
Molecule Category	UNKNOWN
ATC	N05CM06
UNII	242Z0PM79Y
EPA CompTox	DTXSID1023520


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

Structure


InChI Key	UVOIBTBFPOZKGP-UHFFFAOYSA-N
Smiles	CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
InChI	InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H24N2OS
Molecular Weight	340.49
AlogP	4.83
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	23.55
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	24.0

Related Entries

Cross References

Resources	Reference
ChEBI	8491
ChEMBL	CHEMBL1201210
DrugBank	DB00777
DrugCentral	2298
FDA SRS	242Z0PM79Y
Human Metabolome Database	HMDB0014915
Guide to Pharmacology	7284
KEGG	C07405
PharmGKB	PA164778685
PubChem	4940
SureChEMBL	SCHEMBL93770

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).