Roxatidine
Grundinformationen
- CAS
78273-80-0- Standard-SMILES
O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1- InChIKey
BCCREUFCSIMJFS-UHFFFAOYSA-N- Summenformel
- C17H26N2O3
- Durchschnittliche Molmasse
- 306,4 g/mol
- Monoisotopische Masse
- 306,1943427
Namen und Bezeichner
- Bevorzugter Name
- Roxatidine
- IUPAC
- 2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
- Englischer Name
- Roxatidine
- Summenformel
- C17H26N2O3
- Molmasse
- 306.4
Namen und Synonyme
ROXATIDINE78273-80-0Desacetyl-tzu-0460RoxitIV9VHT3YUMDTXSID30228937desacetyl TZU 0460RefChem:179979A02BA06DTXCID80151428RoxatidinaRoxatidinum
Weitere Namen anzeigen
Roxatidine USP/EP/BPRoxatidineAcetateHclBaseRoxatidine in acetonitrileROXATIDINE ENTERPRISE STANDARDROXATIDINE(SUBJECTTOPATENTFREE)Benzaldehyde,5-methoxy-7-nitro-n-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}hydroxyacetamide2-Hydroxy-N-[3-[m-(piperidinomethyl)phenoxy]propyl]acetamide
2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide2-hydroxy-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)acetamide2-hydroxy-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)acetamideRoxatidine (INN)ROXATIDINE [INN]Roxatidine [INN:BAN]UNII-IV9VHT3YUMMFCD00871807
Datenbank-Bezeichner
- CAS
78273-80-0- PubChem CID
- 91276
- DTXSID
DTXSID30228937- ChEMBL
CHEMBL4802233- ChEBI
CHEBI:230550- UNII
- IV9VHT3YUM
- Nikkaji
- J94.752K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 61,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 319
Physikochemische Eigenschaften
- Schmelzpunkt
- 59 · 59-60 °C
- Siedepunkt
- 524.3 · 524.3±45.0 °C(Predicted)
- Dichte
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- storage temp.
- -20 ° · -20°
- Löslichkeit
- Soluble in DMSO (up to 25 mg/ml).
- pka
- 13.34 · 13.34±0.10(Predicted)
- Aggregatzustand
- oil
- Farbe
- Colorless to pale yellow
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
- CAS Datenbank
- 78273 · 78273-80-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Roxatidine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
ATC Code
A - Alimentary tract and metabolism；A02 - Drugs for acid related disorders；A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord)；A02BA - H2-receptor antagonists；A02BA06 - Roxatidine
QA - Alimentary tract and metabolism；QA02 - Drugs for acid related disorders；QA02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord)；QA02BA - H2-receptor antagonists；QA02BA06 - Roxatidine
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood.
Anwendungen
VerwendenAnti-ulcerative.
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