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N,N-Dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-1,2-ethandiamin-monohydrochlorid

Methapyrilene Hydrochloride

HCID 8667
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
135-23-9
Standard-SMILES
CN(C)CCN(Cc1cccs1)c1ccccn1.Cl
InChIKey
BONORRGKLJBGRV-UHFFFAOYSA-N
Summenformel
C14H19N3S.ClH
Durchschnittliche Molmasse
297,8 g/mol
Monoisotopische Masse
297,10664632

Überblick

Methapyrilene hydrochloride appears as white crystalline powder or solid with a faint odor. Bitter taste. pH (aqueous solution) 5.5. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Methapyrilene Hydrochloride
IUPAC
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;hydrochloride
Lokaler Name
N,N-Dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-1,2-ethandiamin-monohydrochlorid
Englischer Name
Methapyrilene hydrochloride
Summenformel
C14H20ClN3S
Molmasse
297.85

Namen und Synonyme

METHAPYRILENE HYDROCHLORIDE135-23-9Methapyrilene HClMethoxyleneBlue LineThenylpyramine hydrochlorideThenylene hydrochlorideDTXSID0020818methypyrilene hydrochlorideNSC-75841000S42N58OM2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine monohydrochloride
Weitere Namen anzeigen
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)

Datenbank-Bezeichner

CAS
135-23-9
PubChem CID

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
47,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
6
Schwere Atome
19
Formalladung
0
Komplexität
235

Experimentelle und physikochemische Eigenschaften

Solubility · 2 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt
162 ° · 162°
storage temp.
room temp
Löslichkeit
15 mg/ml,DMSO: · DMF: 15 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 1 mg/ml
Aggregatzustand
Solid
Farbe
Off-white to yellow
Stabilität
Hygroscopic
Major Application

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

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 · 1 Eintrag

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.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,2-Ethanediamine, N1,N1-dimethyl-N2-2-pyridinyl-N2-(2-thienylmethyl)-, hydrochloride (1:1): ACTIVE

Anwendungen

VerwendenMethapyrilene is used as antihistaminic agent.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Natriumamid2-PyridylaminHydrogenchlorid

Anbieter27 Anbieter

艾吉析科技(上海)有限公司17717235263 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]

Zugehörige Reaktionen

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Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
8667
DTXSID
DTXSID0020818
ChEMBL
CHEMBL1255739
ChEBI
CHEBI:38213
UNII
00S42N58OM
EC Number
205-184-8
clinical testing
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
InChIKey
BONORRGKLJBGRV-UHFFFAOYSA-N
SMILES
N(CCN(C)C)(CC1SC=CC=1)C1=NC=CC=C1.Cl
EPA chemische Informationen
Methapyrilene hydrochloride (135-23-9)
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
RTECS-Nr.
UT1750000
risk_code
25
Toxizität
LD50 oral in rat: 200mg/kg
hazard_code
T
safety_code
22-36-45
hazard_class
6.1(b)
packing_group
III
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 Oral
ChemeGen 中国
18818260767 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A hydrochloride that is the monohydrochloride salt of methapyrilene.