Nap-226-90
Grundinformationen
- CAS
139306-10-8- Standard-SMILES
C[C@@H](c1cccc(O)c1)N(C)C- InChIKey
GQZXRLWUYONVCP-QMMMGPOBSA-N- Summenformel
- C10H15NO
- Durchschnittliche Molmasse
- 165,23 g/mol
- Monoisotopische Masse
- 165,1153641
Namen und Bezeichner
- Bevorzugter Name
- Nap-226-90
- IUPAC
- 3-[(1S)-1-(dimethylamino)ethyl]phenol
- Englischer Name
- 3-[(1S)-1-(Dimethylaminoethyl)]phenol
- Summenformel
- C10H15NO
- Molmasse
- 165.23
Namen und Synonyme
139306-10-8(S)-3-(1-(dimethylamino)ethyl)phenol3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLNAP-226-90(s)-3-[1-(dimethylamino)ethyl]phenolPhenol, 3-[(1S)-1-(dimethylamino)ethyl]-3-((1S)-1-(Dimethylamino)ethyl)phenolPhenol, 3-((1S)-1-(dimethylamino)ethyl)-(-)-3-((1S)-1-(Dimethylamino)ethyl)phenol1608PLR9ZORivastigmine specified impurity A [EP]DTXSID60161005
Weitere Namen anzeigen
RivastigMine Related CoMpound CNAP 226-90RivastigMine USP RC CRIVASTIGMINE METABOLITECapalatine EP Impurity ARivastigmine BP Impurity ARivastigmine EP Impurity ARivastigmineEPImpurityA-d6Barbituric Acid Impurity 7Rivastigmine EP Impurity 1
Rivastigmine hydrogen tartrate specified impurity A [EP]RIVASTIGMINE HYDROGEN TARTRATE IMPURITY A [EP IMPURITY]RIVASTIGMINE IMPURITY A [EP IMPURITY]RIVASTIGMINE IMPURITY A (EP IMPURITY)Rivastigmine tartrate impurity, phenol impurity-(USP)Rivastigmine tartrate impurity, phenol impurity-[USP]RIVASTIGMINE HYDROGEN TARTRATE IMPURITY A (EP IMPURITY)RIVASTIGMINE TARTRATE IMPURITY, PHENOL IMPURITY-(USP IMPURITY)
Datenbank-Bezeichner
- CAS
139306-10-8- PubChem CID
- 445892
- DTXSID
DTXSID60161005- UNII
- 1608PLR9ZO
- EC Number
- 691-246-3
- Nikkaji
- J1.777.601K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 136
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · 87-88°C
- Siedepunkt
- 241 ℃ · 241℃
- Dichte
- 1.021 · 1.021
- Flammpunkt
- 97 ℃ · 97℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.86 · 9.86±0.10(Predicted)
- Farbe
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
- InChIKey
- GQZXRLWUYONVCP-QMMMGPOBSA-N
- SMILES
- C1(O)=CC=CC([C@@H](N(C)C)C)=C1
- CAS Datenbank
- 139306 · 139306-10-8(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.
GHS-Klassifizierung
GHS Classification
Warning
H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29222990
- risk_code
- 36-43
- safety_code
- 26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungNAP 226-90 is a metabolite of rivastigmine that is formed by hydrolysis.
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