p,p'-(2-Pyridylmethylen)bisphenol
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
Grundinformationen
- CAS
603-41-8- Standard-SMILES
Oc1ccc(C(c2ccc(O)cc2)c2ccccn2)cc1- InChIKey
LJROKJGQSPMTKB-UHFFFAOYSA-N- Summenformel
- C18H15NO2
- Durchschnittliche Molmasse
- 277,3 g/mol
- Monoisotopische Masse
- 277,11027872
Überblick
Deacetylbisacodyl is a Stimulant Laxative. The physiologic effect of deacetylbisacodyl is by means of Increased Large Intestinal Motility and Stimulation Large Intestine Fluid/Electrolyte Secretion.
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Dihydroxydiphenyl(2-pyridyl)methane
- IUPAC
- 4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
- Lokaler Name
- p,p'-(2-Pyridylmethylen)bisphenol
- Englischer Name
- p,p'-(2-pyridylmethylene)bisphenol
- Summenformel
- C18H15NO2
- Molmasse
- 277.32
Namen und Synonyme
603-41-8Dihydroxydiphenyl-pyridyl methanedeacetylbisacodylDDPM4,4'-(2-Pyridinylmethylene)bisphenolLa-96desacetylbisacodylPhenol, 4,4'-(2-pyridinylmethylene)bis-4,4'-(2-Pyridylmethylene)diphenol4,4'-Dihydroxydiphenyl(2-pyridyl)methaneR09078E41YDTXCID40131544
Weitere Namen anzeigen
Desdiacetyl Bisacodyl4,4'-(pyridin-2-ylmethylene)diphenolBISACODYL RC ADeacetylbisocodylDesacetyl Bisacodyl5DDPM (pharmaceutical)Picosulfate IMpurity BBisacodyl EP Impurity APicosulfate EP Impurity B
DTXSID202090534-[(4-hydroxyphenyl)(pyridin-2-yl)methyl]phenoldesacetyl-bisacodyl4-((4-hydroxyphenyl)(pyridin-2-yl)methyl)phenolRefChem:54939bis(p-hydroxyphenyl)pyridyl-2-methane210-039-7LA 96
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 53,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 284
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Bisacodyl
LogP2.84
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 °C · >200°C (dec.)
- Siedepunkt
- 462.1 · 462.1±40.0 °C(Predicted)
- Dichte
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2)(1:8): 0.11 mg/ml; Ethanol: 2.5 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 9.71 · 9.71±0.10(Predicted)
- Farbe
- White to off-white
- Major Application
- pharmaceutical (small molecule)
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationREACH registered substance: p,p'-(2-pyridylmethylene)bisphenol (EC: 210-039-7)
Sicherheitsdaten
- wgk
- WGK 2
- hs_code
- 2933399090
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
R09078E41Y
DEACETYLBISACODYL
Physiologic Effects [PE] - Increased Large Intestinal Motility
Established Pharmacologic Class [EPC] - Stimulant Laxative
Physiologic Effects [PE] - Stimulation Large Intestine Fluid/Electrolyte Secretion
Deacetylbisacodyl is a Stimulant Laxative. The physiologic effect of deacetylbisacodyl is by means of Increased Large Intestinal Motility and Stimulation Large Intestine Fluid/Electrolyte Secretion.
Anbieter90 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
济南昕维医药科技有限公司18354101831 13356699551 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
广州隽唐科技有限公司
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