Methyl-4-hydroxy-2-methyl-2H-1,2-benzothiazin-3-carboxylat-1,1-dioxid
methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
Grundinformationen
- CAS
35511-15-0- Standard-SMILES
COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C- InChIKey
NGHIOTWSWSQQNT-UHFFFAOYSA-N- Summenformel
- C11H11NO5S
- Durchschnittliche Molmasse
- 269,28 g/mol
- Monoisotopische Masse
- 269,03579345
Namen und Bezeichner
- Bevorzugter Name
- methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
- IUPAC
- methyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
- Lokaler Name
- Methyl-4-hydroxy-2-methyl-2H-1,2-benzothiazin-3-carboxylat-1,1-dioxid
- Englischer Name
- 2-Methyl-4-hydroxy-2H-1,2-benzisothiazine-3-carboxylic acid ethyl ester-1,1-diox
- Summenformel
- C11H11NO5S
- Molmasse
- 269.27
Namen und Synonyme
Methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideUNII-Z7C4J6BW2KZ7C4J6BW2KEINECS 252-601-4MELOXICAM IMPURITY E [EP IMPURITY]DTXSID30189019PIROXICAM IMPURITY J [EP IMPURITY]2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide4-HYDROXY-2-METHYL-2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID METHYL ESTER 1,1-DIOXIDE2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-HYDROXY-2-METHYL-, METHYL ESTER, 1,1-DIOXIDEMELOXICAM IMPURITY E (EP IMPURITY)PIROXICAM IMPURITY J (EP IMPURITY)
Weitere Namen anzeigen
Meloxicam BP Impurity DPiroxicam EP Impurity JPiroxicam EP IMP J4-Hydroxy-2-Methyl-PiroxicaM IMpurity JPiroxicam Related Compound JMethyl 4-Hydroxy-2-methyl-2H-1,2-beMeloxicam Impurity 5(Meloxicam EP Impurity E)Piroxicam Impurity 10(Piroxicam EP Impurity J)Meloxicam EP Impurity E (Piroxicam EP Impurity J)
RefChem:157618DTXCID10111510252-601-435511-15-0Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic methyl ester-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxideMFCD00071766
Datenbank-Bezeichner
- CAS
35511-15-0- PubChem CID
- 54676532
- DTXSID
DTXSID30189019- ChEMBL
CHEMBL4176626- UNII
- Z7C4J6BW2K
- EC Number
- 252-601-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 92,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 490
Physikochemische Eigenschaften
- Schmelzpunkt
- 163 · 163-165°C
- Siedepunkt
- 439.9 · 439.9±55.0 °C(Predicted)
- Dichte
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.5 · 4.50±1.00(Predicted)
- Farbe
- White to Pale Yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3
- InChIKey
- NGHIOTWSWSQQNT-UHFFFAOYSA-N
- CAS Datenbank
- 35511 · 35511-15-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 05-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23090
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenPiroxicam Impurity J. It Is also an impurity found in Meloxicam (M216100).
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