Methapyrilene hydrochlorideProduct ingredient for Methapyrilene
- Name
- Methapyrilene hydrochloride
- Drug Entry
- Methapyrilene
Methapyrilene, formerly marketed in many drug products, was shown to be a potent carcinogen. Manufacturers voluntarily withdrew methapyriline drug products from the market in May and June 1979.
- Accession Number
- DBSALT000334
- Structure
- Synonyms
- Methapyrilene HCl
- UNII
- 00S42N58OM
- CAS Number
- 135-23-9
- Weight
- Average: 297.847
Monoisotopic: 297.106646052 - Chemical Formula
- C14H20ClN3S
- InChI Key
- BONORRGKLJBGRV-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H
- IUPAC Name
- N-[2-(dimethylamino)ethyl]-N-[(thiophen-2-yl)methyl]pyridin-2-amine hydrochloride
- SMILES
- Cl.CN(C)CCN(CC1=CC=CS1)C1=NC=CC=C1
- External Links
- PubChem Compound
- 8667
- ChemSpider
- 8345
- ChEBI
- 38213
- ChEMBL
- CHEMBL1255739
- Predicted Properties
Property Value Source Water Solubility 0.287 mg/mL ALOGPS logP 2.71 ALOGPS logP 3.11 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 8.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 19.37 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 78.16 m3·mol-1 Chemaxon Polarizability 29.5 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon