Grundinformationen
- CAS
550-10-7- Standard-SMILES
COc1c2c(cc3c1OCO3)CCN(C)C2- InChIKey
XXANNZJIZQTCBP-UHFFFAOYSA-N- Summenformel
- C12H15NO3
- Durchschnittliche Molmasse
- 221,25 g/mol
- Monoisotopische Masse
- 221,10519334
Namen und Bezeichner
- Bevorzugter Name
- Hydrocotarnine
- IUPAC
- 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
- Lokaler Name
- Hydrocotarnin
- Englischer Name
- hydrocotarnine
- Summenformel
- C12H15NO3
- Molmasse
- 221.25
Namen und Synonyme
Hydrocotarnine550-10-74-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolineG22L6JNE614-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolineDTXSID602035355,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-4-methoxy-6-methyl-2H,5H,6H,7H,8H-(1,3)dioxolo(4,5-g)isoquinoline4-methoxy-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolineRefChem:147055
Weitere Namen anzeigen
8-Methoxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinolineHydrocotarnine Hydrochloridehydrocotarnine, 10 mM in DMSONoscapine Impurity 3(Hydrocotarnine)5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinoline4-Methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline1,2,3,4-Tetrahydro-2-methyl-6,7-(methylenebisoxy)-8-methoxyisoquinoline4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrate hydrochloride
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 30,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 261
Experimentelle und physikochemische Eigenschaften
Melting Point55.5 - 56.5 °C
Physical DescriptionSolid
Kovats Retention Index1798；1790
Physikochemische Eigenschaften
- Schmelzpunkt
- 56 °C · 56°C
- Siedepunkt
- 362.31 °C · 362.31°C (rough estimate)
- Dichte
- 1.1514 · 1.1514 (rough estimate)
- Brechungsindex
- 1.52 · 1.5200 (estimate)
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Solid
- pka
- 7.75 · 7.75±0.20(Predicted)
- Farbe
- Light Brown to Orange
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Anbieter21 Anbieter
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