ChemicalBook--->CAS DataBase List--->485-91-6

485-91-6

485-91-6 Structure

485-91-6 Structure
IdentificationBack Directory
[Name]

ALLOCRYPTOPINE
[CAS]

485-91-6
[Synonyms]

C02134
Thalictrimine
alpha-Fagarine
ALLOCRYPTOPINE
ALPHA-ALLOCRYPTOPINE
Beta-HoMochelidonine
ALLOCRYPTOPINE, ALPHA-
ALLOCRYPTOPINE USP/EP/BP
α-Allocryptopine, 98%, from Macleaya cordata (Willd.) R. Br.
5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one
5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methylbenzo[e][1,3]dioxolo[4,5-k][3]benzazecin-14(6H)-one
[1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-
3,4-DIMETHOXY-6-METHYL-5,7,8,15-TETRAHYDRO-6H-BENZO[C][1,3]DIOXOLO[4',5':4,5]BENZO[1,2-G]AZECIN-14-ONE
(2S,5R,6R)-6-[(2-amino-2-methyl-1-oxopropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
[EINECS(EC#)]

207-626-5
[Molecular Formula]

C21H23NO5
[MDL Number]

MFCD00022318
[MOL File]

485-91-6.mol
[Molecular Weight]

369.41
Chemical PropertiesBack Directory
[Melting point ]

160~161℃
[Boiling point ]

552.7±50.0 °C(Predicted)
[density ]

1.216±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly)
[form ]

Solid
[pka]

7.86±0.20(Predicted)
[color ]

White to Pale Brown
[InChI]

InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
[InChIKey]

HYBRYAPKQCZIAE-UHFFFAOYSA-N
[SMILES]

N1(C)CC2=C(OC)C(OC)=CC=C2CC(=O)C2C=C3OCOC3=CC=2CC1
Hazard InformationBack Directory
[Description]

This alkaloid from Thalictrum minus has been identified as a-Allocryptopine (q.v.).
[Uses]

Allocryptopine is an alkaloid that displays antiparasitic, antiarrythmic, antithrombotic and anti-inflammatory activity.
[Definition]

ChEBI: Allocryptopine is a dibenzazecine alkaloid, an organic heterotetracyclic compound, a tertiary amino compound, a cyclic ketone, a cyclic acetal and an aromatic ether.
[References]

Kuchkova, Lazur'evskii., Izv. Akad. Nauk. Mold. SSR, Ser. Khim. Bioi., II, 43 (196S)
Spectrum DetailBack Directory
[Spectrum Detail]

ALLOCRYPTOPINE(485-91-6)1HNMR
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