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520-68-3

520-68-3 Structure

520-68-3 Structure
IdentificationBack Directory
[Name]

ECHIMIDINE
[CAS]

520-68-3
[Synonyms]

C10299
ECHIMIDINE
(+)-ECHIMIDINE
7-Angelyl-9-echimidinylretronecine
(7aR)-7-[(Ξ)-2,3-dihydroxy-2-((Ξ)-1-hydroxy-ethyl)-3-methyl-butyryloximethyl]-1c-(2-methyl-cis-crotonoyloxy)-(7ar)-2,3,5,7a-tetrahydro-1H-pyrrolizin
L-threo-Pentitol, 1,5-dideoxy-2-C-methyl-3-C-[[[(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methoxy]carbonyl]-
[Molecular Formula]

C20H31NO7
[MDL Number]

MFCD02656389
[MOL File]

520-68-3.mol
[Molecular Weight]

397.46
Chemical PropertiesBack Directory
[Melting point ]

>133°C (dec.)
[Boiling point ]

520.9°C (rough estimate)
[density ]

1.26±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5614 (estimate)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.45±0.29(Predicted)
[color ]

Light Beige
Safety DataBack Directory
[RIDADR ]

1544
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Hazardous Substances Data]

520-68-3(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

(+)-Echimidine, is a a hepatotoxic pyrrolizidine alkaloid. It is found to be present in comfrey, inducing genotoxicity and carcinogenicity.
[Definition]

ChEBI: Echimidine is a member of pyrrolizines.
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