1-(4-Ammonio-2-methylpyrimidin-5-yl)-3-(2-hydroxyethyl)-2-methylpyridiniumdibromid
Pyrithiamine bromide hydrobromide
Grundinformationen
- CAS
534-64-5- Standard-SMILES
Br.Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1.[Br-]- InChIKey
DMVBWVASDWGFNH-UHFFFAOYSA-M- Summenformel
- C14H20Br2N4O
- Durchschnittliche Molmasse
- 420,14 g/mol
- Monoisotopische Masse
- 418,00039
Überblick
A thiamine antagonist due to its inhibition of thiamine pyrophosphorylation. It is used to produce thiamine deficiency.
Namen und Bezeichner
- Bevorzugter Name
- Pyrithiamine bromide hydrobromide
- IUPAC
- 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol;bromide;hydrobromide
- Lokaler Name
- 1-(4-Ammonio-2-methylpyrimidin-5-yl)-3-(2-hydroxyethyl)-2-methylpyridiniumdibromid
- Englischer Name
- Neopyrithiamine hydrobromide
- Summenformel
- C14H20Br2N4O
- Molmasse
- 420.14
Namen und Synonyme
PYRITHIAMINENeopyrithiaminePyrithiamine bromide hydrobromideDTXSID809680585JB3029BJ7NSC-400971Pyridinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-, bromide, monohydrobromideHeterovitamin B 1CHEBI:722901, Heterovitamin BB 1, Heterovitamin2-(1-((4-amino-2-methylpyrimidin-5-yl)methyl)-2-methylpyridin-1-ium-3-yl)ethanol
Weitere Namen anzeigen
PyrithiaMin HydrobroMideNeopyrithiamine hydrobromideNeopyrithiaminehydrobromideappox.PyrithiaMine hydrobroMide ~95%, crystalline1-(4-ammonio-2-methylpyrimidin-5-yl)-3-(2-hydroxyethyl)-2-methylpyridinium dibromide1-([4-amino-2-methyl]-5-pyrimidylmethyl)-2-methyl-3-(β-hydroxyethyl)pyridinium bromide
RefChem:424809DTXCID001395646208-604-8534-64-5Pyrithiamine hydrobromidePyrithiaminPyrithiamine (hydrobromide)MFCD00058193
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 75,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 276
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 °C · 247 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Methanol (Slightly, Heated), Water (Slightly)
- Aggregatzustand
- crystalline
- Farbe
- off-white to yellow
- InChI
- 1S/C14H19N4O.2BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1
- InChIKey
- DMVBWVASDWGFNH-UHFFFAOYSA-M
- SMILES
- Br.[Br-].Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033)
Anwendungen
VerwendenThiamine (T344185) antagonist. Thiamine (T344185) analog.
Anbieter47 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
常州市华阳科技有限公司
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…