Promethazine teoclateProduct ingredient for Promethazine
- Name
- Promethazine teoclate
- Drug Entry
- Promethazine
Promethazine, originally known as 3,277 R.P., is an N-dimethylaminopropyl derivative of phenothiazine that was developed in France in 1946.1 Promethazine antagonizes a variety of receptors, allowing it to be used for a number of indications including allergic reactions, pain, sedation, nausea, and vomiting.2,8,9,7,10
Promethazine was granted FDA approval before 29 March 1951.11,12
- Accession Number
- DBSALT003061
- Structure
Structure for Promethazine teoclate (DBSALT003061)
- Synonyms
- Promethazine 8-chlorotheophyllinate / Promethazine chlorotheophyllinate / Promethazine teoclate
- External IDs
- 241-691-0
- UNII
- S5PUP23U26
- CAS Number
- 17693-51-5
- Weight
- Average: 499.03
Monoisotopic: 498.160473 - Chemical Formula
- C24H27ClN6O2S
- InChI Key
- YCXARMXCESBEDS-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)
- IUPAC Name
- 8-chloro-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; dimethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine
- SMILES
- CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O.CC(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N(C)C
- External Links
- ChemSpider
- 56725
- ChEBI
- 32059
- ChEMBL
- CHEMBL3833361
- Predicted Properties
Property Value Source Water Solubility 9.41 mg/mL ALOGPS logP 0.84 ALOGPS logP 4.29 Chemaxon logS -1.4 ALOGPS pKa (Strongest Basic) 9.05 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 6.48 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 88.5 m3·mol-1 Chemaxon Polarizability 32.4 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon