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77727-18-5

77727-18-5 Structure

77727-18-5 Structure
IdentificationBack Directory
[Name]

Candidone
[CAS]

77727-18-5
[Synonyms]

Candidone
(-)-Candidone
[Molecular Formula]

C22H24O4
[MDL Number]

MFCD24849324
[MOL File]

77727-18-5.mol
[Molecular Weight]

352.42
Chemical PropertiesBack Directory
[Melting point ]

97-100 °C
[Boiling point ]

520.0±50.0 °C(Predicted)
[density ]

1.130±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

solid
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
[InChIKey]

JYESOAFLKFHYHP-SFHVURJKSA-N
[SMILES]

COc1cc(OC)c2C(=O)C[C@H](Oc2c1C\C=C(\C)C)c3ccccc3
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P501
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

(-)-Candidone is an antibacterial agent used in the treatment of multi-drug resistant (MDR) Gram-negative phenotypes. Cytotoxic agent.
[Definition]

ChEBI: Candidone is a member of flavanones.
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