promethazine   Click here for help

GtoPdb Ligand ID: 7282

Synonyms: Phenergan® | Sominex®
Approved drug
promethazine is an approved drug (FDA (1951))
Compound class: Synthetic organic
Comment: This drug is a first-generation antihistamine with strong sedative and weak antipsychotic effects. Additional properties include antiemetic and anticholinergic actions.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 31.78
Molecular weight 284.13
XLogP 4.4
No. Lipinski's rules broken 0
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Canonical SMILES CN(C(CN1c2ccccc2Sc2c1cccc2)C)C
Isomeric SMILES CN(C(CN1c2ccccc2Sc2c1cccc2)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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1951))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
516 promethazine
Synonyms Click here for help
Phenergan® | Sominex®
Database Links Click here for help
Specialist databases
GPCRdb Ligand promethazine
Other databases
CAS Registry No. 60-87-7
DrugBank Ligand DB01069
DrugCentral Ligand 2286
GtoPdb PubChem SID 178103856
PubChem CID 4927
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UniChem Compound Search for chemical match using the InChIKey PWWVAXIEGOYWEE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PWWVAXIEGOYWEE-UHFFFAOYSA-N
Wikipedia Promethazine