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866366-86-1 structure

Xanthiside

Iupac Name:8,8-dimethyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4H-1,4-benzothiazine-3,5-dione
CAS No.:866366-86-1
Molecular Weight:401.43142
Molecular Formula:C17H23NO8S (isomer)
1. Names and Identifiers
1.1 Synonyms

8,8-Dimethyl-7-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-pyran-2-yloxy)methyl)-benzo[b][1,4]thiazine-3,5-dione 866366-86-1 FT-0775869 Xanthiside

1.2 Inchi
InChI=1S/C17H23NO8S/c1-17(2)7(3-8(20)11-15(17)27-6-10(21)18-11)5-25-16-14(24)13(23)12(22)9(4-19)26-16/h3,9,12-14,16,19,22-24H,4-6H2,1-2H3,(H,18,21)
1.3 InChkey
AKXSDYSKIVXIJA-UHFFFAOYSA-N
1.4 Canonical Smiles
CC1(C(=CC(=O)C2=C1SCC(=O)N2)COC3C(C(C(C(O3)CO)O)O)O)C
1.5 Isomers Smiles
CC1(C(=CC(=O)C2=C1SCC(=O)N2)COC3C(C(C(C(O3)CO)O)O)O)C
2. Properties
2.1 Density
1.54±0.1 (20 ºC 760 Torr)
2.2 Melting Point
180-182℃
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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