ChemicalBook--->CAS DataBase List--->13268-67-2

13268-67-2

13268-67-2 Structure

13268-67-2 Structure
IdentificationBack Directory
[Name]

senecionine N-oxide
[CAS]

13268-67-2
[Synonyms]

Senecionine oxide
Senecionin-N-oxid
senecionine N-oxide
12-Hydroxysenecionan-11,16-dione 4-oxide
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, 12-oxide, (3Z,5R,6R,14aR,14bR)-
[Molecular Formula]

C18H25NO6
[MDL Number]

MFCD01750097
[MOL File]

13268-67-2.mol
[Molecular Weight]

351.39
Chemical PropertiesBack Directory
[form ]

Solid
[pka]

12.77±0.40(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1
[InChIKey]

PLGBHVNNYDZWGZ-GPUZEBNTSA-N
[SMILES]

[N+]12([O-])CC=C3COC(=O)[C@@](O)(C)[C@H](C)C/C(=C/C)/C(=O)O[C@@]([H])([C@]13[H])CC2
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Skull and Crossbones (GHS06)
GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H373
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501
[RIDADR ]

1544
[HazardClass ]

6.1(a)
[PackingGroup ]

II
Questions And AnswerBack Directory
[Description]

Senecionine N-oxide is a tertiary amine oxide. It derives from a senecionine.

Hazard InformationBack Directory
[Uses]

Senecionine N-oxide is the major pyrrolizidine alkaloid in Senecio vulgaris, a native herb of the British Isles. Senecionine N-oxide is hepatotoxic, and is suspected to be an antifertility agent in rats. Despite its toxicity, it is also being regarded as an antiproliferative agent for tumour growth.
[Definition]

ChEBI: Senecionine N-oxide is a tertiary amine oxide. It is functionally related to a senecionine.
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