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595-05-1

595-05-1 Structure

595-05-1 Structure
IdentificationBack Directory
[Name]

CALYCANTHINE
[CAS]

595-05-1
[Synonyms]

CALYCANTHINE
(4bS)-5,6,11,12-Tetrahydro-13,18-dimethyl-5β,10bβ:11β,4bβ-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine
[EINECS(EC#)]

209-857-7
[Molecular Formula]

C22H26N4
[MDL Number]

MFCD00010526
[MOL File]

595-05-1.mol
[Molecular Weight]

346.47
Chemical PropertiesBack Directory
[Melting point ]

245° (evac tube)
[alpha ]

D18 +684° (c = 1.2 in abs alc)
[solubility ]

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

White to Pale Brown Solid
[color ]

Light yellow to yellow
[InChIKey]

XSYCDVWYEVUDKQ-GXRSIYKFSA-N
[SMILES]

[C@@]12([H])N(C)CC[C@@]3([C@]41CCN(C)[C@@]3([H])NC1=CC=CC=C14)C1=CC=CC=C1N2
[CAS DataBase Reference]

595-05-1
Hazard InformationBack Directory
[Definition]

ChEBI: The principal alkaloid of the plant family Calycanthaceae.
[Description]

This dimeric alkaloid has recently been isolated from the stems and leaves of dried Palicourea alpina
[Uses]

(+)-Calycanthine is a bitter and poisonous crystalline alkaloid that is obtained from seeds of plants of the genus Calycanthus and belongs to the family of Naphthyridines
[IC 50]

Human Endogenous Metabolite
[References]

Woo-Ming, Stuart, Phytochem., 14,2529 (1975)
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