PROMETHAZINE


Synonyms	Dimapp Diphergan Fargan NSC-30321 Phenergan Proazamine Procit Prometazin Promethacon Promethazine Promethegan Protazine Prothazin RP-3277 Remsed Vallergine Zipan-25 Zipan-50
Status
Molecule Category	Free-form
ATC	D04AA10 R06AD02
UNII	FF28EJQ494
EPA CompTox	DTXSID7023518


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

Structure


InChI Key	PWWVAXIEGOYWEE-UHFFFAOYSA-N
Smiles	CC(CN1c2ccccc2Sc2ccccc21)N(C)C
InChI	InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H20N2S
Molecular Weight	284.43
AlogP	4.24
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	3.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Related Entries

Cross References

Resources	Reference
ChEBI	8461
ChEMBL	CHEMBL643
DrugBank	DB01069
DrugCentral	2286
FDA SRS	FF28EJQ494
Human Metabolome Database	HMDB0015202
Guide to Pharmacology	7282
KEGG	C07404
PharmGKB	PA451128
PubChem	4927
SureChEMBL	SCHEMBL4700

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).