Europine N-oxide
Basic information
- CAS
65582-53-8- Standard SMILES
COC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(O)C12)C(C)(C)O- InChIKey
UPYLKTQCLCBJQP-UHFFFAOYSA-N- Molecular formula
- C16H27NO7
- Average molar mass
- 345.39 g/mol
- Monoisotopic mass
- 345.1787522
Names & identifiers
- Preferred name
- Europine N-oxide
- IUPAC
- (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
- English name
- Europine N-oxide
- Molecular formula
- C16H27NO7
- Molecular weight
- 345.39
Names & synonyms
EUROPINE N-OXIDE65582-53-8(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoateNSC-282143orb1992170(1S,7aR)-7-((((R)-2,3-dihydroxy-2-((S)-1-methoxyethyl)-3-methylbutanoyl)oxy)methyl)-1-hydroxy-2,3,5,7a-tetrahydropyrrolizine 4(1H)-oxideMSK14162NSC282143AKOS040734581FE161601T124465Europine N-oxide-RM
Show more names
Tricosanoic Acid Impurity 9Europine-N-oxide 100 μg/mL in WaterEuropine Impurity 1 (Europine N-Oxide)L-threo-Pentitol, 1,5-dideoxy-2-C-methyl-4-O-methyl-3-C-[[[(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methoxy]carbonyl]-
Database identifiers
- CAS
65582-53-8- PubChem CID
- 323256
- EC Number
- 805-248-0
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
Physicochemical properties
- Melting point
- 171 · 171-172 °C
- pka
- 11.95 · 11.95±0.29(Predicted)
- FDA UNII
- 5 WZB3UL2 · AZ5WZB3UL2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
OccurrenceA simple pyrrolizidine alkaloid, this N-oxide occurs in Heliotropium species. It furnishes colourless crystals when crystallized from MeOH and is dextrorotatory with a specific rotation of [α]D +27° (CHCb).
UsesEuropine N-oxide is a pyrrolizidine alkaloids isolated from the root of Heliotropium marifolium with antineoplastic and antiviral functions.
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Compound notes
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