Basic information
- CAS
135-23-9- Standard SMILES
CN(C)CCN(Cc1cccs1)c1ccccn1.Cl- InChIKey
BONORRGKLJBGRV-UHFFFAOYSA-N- Molecular formula
- C14H19N3S.ClH
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.10664632
Overview
Methapyrilene hydrochloride appears as white crystalline powder or solid with a faint odor. Bitter taste. pH (aqueous solution) 5.5. (NTP, 1992)
Names & identifiers
- Preferred name
- Methapyrilene Hydrochloride
- IUPAC
- N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;hydrochloride
- English name
- Methapyrilene hydrochloride
- Molecular formula
- C14H20ClN3S
- Molecular weight
- 297.85
Names & synonyms
METHAPYRILENE HYDROCHLORIDE135-23-9Methapyrilene HClMethoxyleneBlue LineThenylpyramine hydrochlorideThenylene hydrochlorideDTXSID0020818methypyrilene hydrochlorideNSC-75841000S42N58OM2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine monohydrochloride
Show more names
dozarbarhistcoryzolbluelinecapathynhistafedmethaconsomnicaps
DTXCID40818CHEBI:38213METHAPYRILENE HYDROCHLORIDE [MI]METHAPYRILENE HYDROCHLORIDE [VANDF]METHAPYRILENE HYDROCHLORIDE [WHO-DD]cohistine2-((2-(dimethylamino)ethyl)-2-thenylamino)pyridine hydrochloride1,2-Ethanediamine, N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-, hydrochloride (1:1)
Database identifiers
- CAS
135-23-9- PubChem CID
- 8667
- DTXSID
DTXSID0020818
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Solubility
greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992)
>44.7 [ug/mL] (The mean of the results at pH 7.4)
Melting Point324 °F (NTP, 1992)
Physical DescriptionMethapyrilene hydrochloride appears as white crystalline powder or solid with a faint odor. Bitter taste. pH (aqueous solution) 5.5. (NTP, 1992)
Collision Cross Section157.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 162 ° · 162°
- storage temp.
- room temp
- solubility
- 15 mg/ml,DMSO: · DMF: 15 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 1 mg/ml
- form
- Solid
- color
- Off-white to yellow
- Stability
- Hygroscopic
- Major Application
- clinical testing
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include gastritis. Other symptoms include excitement, convulsions, hyperpyrexia, cerebral edema, depression and renal tubular necrosis. Ingestion of this type of compound may cause drowsiness, headache, dryness of the mouth, nausea, tachycardia, urinary retention, disorientation, nervousness, staggering gait, hallucinations, stupor, coma, hyperreflexia, tremors, nystagmus and hyperthermia. Other symptoms of exposure to this type of compound are mild sedation, inability to concentrate, lassitude, dizziness, hypotension, muscular weakness, incoordination, vomiting, diarrhea or constipation, epigastric pain, blurred vision and tinnitus.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
METHAPYRILENE HYDROCHLORIDE is light sensitive. Solutions of this chemical in water, DMSO, 95% ethanol or acetone should be stable for 24 hours under normal lab conditions. (NTP, 1992). Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-, hydrochloride (1:1): ACTIVE
Applications
UsesAntihistaminic;Histamine H1 antagonist
UsesMethapyrilene is used as antihistaminic agent.
General DescriptionMethapyrilene hydrochloride,2-[[2-(dimethylamino)-ethyl]-2-thienylarnino]pyridine monohydrochloride (Histadyl) is available as the bitter-tasting, white crystalline powder that is soluble in water(1:0.5), in alcohol (1:5), and in chloroform (1:3). Its solutionshave a pH of about 5.5. It differs structurally from tripelennaminein having a 2-thiophene—methylene group in placeof the benzyl group. The thiophene ring is considered isostericwith the benzene ring, and the isosteres exhibit similaractivity. A study of the solid-state conformation of methapyrilenehydrochloride showed that the trans-conformation is preferredfor the two ethylenediamine nitrogen atoms. The Foodand Drug Administration declared methapyrilene a potentialcarcinogen in 1979, and all products containing it have beenrecalled.
General DescriptionWhite crystalline powder or solid with a faint odor. Bitter taste. pH (aqueous solution) 5.5.
Upstream & downstream products
Upstream raw materials
Suppliers27 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
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Compound notes
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