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Triprolidine hydrochloride monohydrate

HCID 5284472
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Grundinformationen

CAS
6138-79-0
Standard-SMILES
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl.O
InChIKey
CUZMOIXUFHOLLN-UMVVUDSKSA-N
Summenformel
C19H22N2.ClH.H2O
Durchschnittliche Molmasse
332,9 g/mol
Monoisotopische Masse
332,1655411

Überblick

Triprolidine hydrochloride monohydrate is an odorless white crystalline powder. Bitter taste. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Triprolidine hydrochloride monohydrate
IUPAC
2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;hydrate;hydrochloride
Englischer Name
Triprolidine hydrochloride
Summenformel
C19H23ClN2
Molmasse
332.87

Namen und Synonyme

TRIPROLIDINE HYDROCHLORIDE MONOHYDRATE6138-79-0ActidilonVenenDTXSID0021410Pro-ActidilPro-EntraDTXCID201410CHEBI:32265Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, monohydrochloride, monohydrate, stereoisomerRefChem:1100506Triprolidine hydrochloride hydrate
Weitere Namen anzeigen
rate,stereoisomerTRIPROLIDINE HCL USPtrans-TriprolidineHClTripolidine HydrochlorideTriprolidine hydrochlorideTriprolidine HydrochloriseTRIPROLIDINEHYDROCHLORIDE,USPTriprolidine hydrochloride (347)triprolidinesigmareferencestandard
Triprolidine.HCl monohydrateTriprolidine HCl monohydratetrans-Triprolidine hydrochloride(E)-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine monohydrochloride monohydrate(E)-2-(3-(Pyrrolidin-1-yl)-1-(p-tolyl)prop-1-en-1-yl)pyridine hydrochloride hydratePyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride, monohydrate, (E)-Triprolidine hydrochloride hydrate (JAN)Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)-

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
23
Formalladung
0
Komplexität
335

Experimentelle und physikochemische Eigenschaften

Solubilitygreater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
Melting Point239 to 248 °F (NTP, 1992)
Physical DescriptionTriprolidine hydrochloride monohydrate is an odorless white crystalline powder. Bitter taste. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
115 · 115-120°C
storage temp.
2 · 2-8°C
Löslichkeit
1 in · alcohol: soluble1 in 1.5 of solvent
Aggregatzustand
Solid
Farbe
White to Off-White
Wasserlöslichkeit
10 g/100 · >=10 g/100 mL at 20 ºC
Merck
13 · 13,9817
Stabilität
Stable, but discolours in light. Incompatible with strong oxidizing agents.
InChI
InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H/b18-11+;

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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 96 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPyridine, 2-(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl-, monohydrochloride, monohydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)-: Environment tier I assessment
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 may include depression to stimulation of the central nervous system, dry mouth, fixed dilated pupils, flushing, hallucinations, convulsions, urinary retention, cardiac arrhythmias and coma. Other symptoms may include excitability, drowsiness, nervousness, dizziness, high fever and sleeplessness. It can also cause sedation. It may also cause local anesthesia, dryness of the throat and nose and abdominal pain with vomiting or diarrhea. (NTP, 1992)

Reactive GroupAmines, Phosphines, and Pyridines

Chemie und Industrie

Anwendungen

VerwendenTRIPROLIDINE HYDROCHLORIDE is used as bulk pharmaceutical (antihistaminic). Product Data Sheet

Anbieter100 Anbieter

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Datenbank-Bezeichner

CAS
6138-79-0
PubChem CID
5284472
DTXSID
DTXSID0021410
ChEMBL
CHEMBL3188034
ChEBI
CHEBI:32265
UNII
YAN7R5L890
EC Number
627-740-2
InChIKey
WYUYEJNGHIOFOC-NWBUNABESA-N
SMILES
C(=C/CN1CCCC1)(\C1=NC=CC=C1)/C1C=CC(C)=CC=1.Cl
LogP
4.223 · 4.223 (est)
CAS Datenbank
6138 · 6138-79-0(CAS DataBase Reference)
EPA chemische Informationen
2 · Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)- (6138-79-0)
Reactivity Profile · 1 Eintrag

TRIPROLIDINE HYDROCHLORIDE MONOHYDRATE discolors on exposure to light. It is an acidic salt and can neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.

Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

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. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

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.

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 an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
hs_code
2933399090
RTECS-Nr.
UT7658000
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-36
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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Ergänzende Hinweise

DefinitionTRIPROLIDINE HYDROCHLORIDE is a hydrate that is the monohydrate form of triprolidine hydrochloride. A sedating antihistamine, it is used for the symptomatic relief of uticaria, rhinitis, and various pruritic skin disorders.