Methdilazine
Basic information
- CAS
1229-35-2- Standard SMILES
CN1CCC(CN2c3ccccc3Sc3ccccc32)C1- InChIKey
HTMIBDQKFHUPSX-UHFFFAOYSA-N- Molecular formula
- C18H20N2S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.13471982
Overview
Crystals. (NTP, 1992)
Names & identifiers
- Preferred name
- Methdilazine
- IUPAC
- 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
- English name
- METHDILAZINE (200 MG)
- Molecular formula
- C18H20N2S
- Molecular weight
- 296.43
Names & synonyms
METHDILAZINETacaryl1982-37-2MethdilazinumTacazylMetodilazinaDilosynmetdilazinaNCI-C6072010-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine4Q13LY9Z8X10-((1-Methyl-3-pyrrolidinyl)methyl)phenothiazine
Show more names
C07175TacrylMJ 5022DisyncranDisyncram
CHEBI:6823DTXSID602328210-[(1-Methyl-3-Pyrrolidinyl)methyl]phenothiazinePhenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)-Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-10-((1-methylpyrrolidin-3-yl)methyl)-10H-phenothiazineRefChem:56651DTXCID903282
Database identifiers
- CAS
1229-35-2、1982-37-2- PubChem CID
- 14677
- DTXSID
DTXSID6023282- ChEMBL
CHEMBL1200959- ChEBI
CHEBI:6823- UNII
- 4Q13LY9Z8X
- EC Number
- 217-841-6
- Nikkaji
- J7.838G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
LogP
4.3
3.87
Solubility1.47e-02 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point
189 to 190 °F (NTP, 1992)
87-88 °C
87 - 88 °C
Physical Description
Crystals. (NTP, 1992)
Solid
Physicochemical properties
- Melting point
- 87 · 87-88℃
- Boiling point
- 170 °C · 170 °C(Press: 0.04 Torr)
- Density
- 1.185 · 1.185
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 7.45 · pKa 7.45 (Uncertain)
- FDA UNII
- 4 Q13LY9Z8X · 4Q13LY9Z8X
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelPoison
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include drowsiness, hypotension, tachycardia, dryness of the mouth, nausea, nasal congestion, fever and tremors. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity ProfileMETHDILAZINE is sensitive to light. (NTP, 1992).
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material should be controlled using a dry chemical carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Pharmacodynamics
In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H<sub>1</sub>-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Methdilazine is a histamine H<sub>1</sub> antagonist. It competes with histamine for the normal H<sub>1</sub>-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.
Mechanism of ActionMethdilazine binds to the histamine H<sub>1</sub> receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.
Absorption, Distribution and ExcretionWell absorbed in the digestive tract.
Cellular LocationsMembrane
Metabolite PathwaysMethdilazine H1-Antihistamine Action
Uses & manufacturing
UsesUsed for the symptomatic relief of hypersensitivity reactions and particularly for the control of pruritic skin disorders
Applications
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Compound notes
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