9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline

Basic Information

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CAS Number

522-97-4

Molecular Formula

C20H21NO4

Molecular Weight

339.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Cryst.

Boiling Point

476.1 °C at 760 mmHg

Density

1.33

Flash Point

141.1 °C

Solubility

DMSO: >10 mg/mL, soluble

SMILES

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COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC

InChI

InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3

InChIKey

VZTUIEROBZXUFA-UHFFFAOYSA-N

LogP

3.088000000000001

Topological Polar Surface Area

40.160000000000004 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

488

Safety Information

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Storage Conditions

-20℃

Toxicity

LD50 in mice (mg/kg): 940 orally; 790 s.c.; 100 i.v. (Sadritdinov, Sultanov)

Synonyms & References

English

(+-)-Canadine
Canadin
5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]benzo-1,3-dioxolo[5,6-a]quinolizine
AKOS021856290
HMS1570G05
9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
NSC-94918
FT-0659151
Tetrahydroberberine,THB
NS00080322
dl-Tetrahydroberberine
(+/-)-Canadine
10-METHOXY-5,8,13,13A-TETRAHYDRO-6H-[1,3]DIOXOLO[4,5-G]ISOQUINO[3,2-A]ISOQUINOLIN-9-YL METHYL ETHER
NCI60_042115
Prestwick1_000672
Berbine,10-dimethoxy-2,3-(methylenedioxy)-
(+-)-Tetrahydroberberin
Tetrahydroberberine THB
CHEMBL275097
Canadine, (.+-.)-
FT-0664216
DTXSID5022724
(.+-.)-Canadine
CAS-522-97-4
Berberine, tetrahydro-
DTXCID802724
9,10-bis(methyloxy)-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]henicosa-2,4(8),9,15(20),16,18-hexaene
Prestwick3_000672
SCHEMBL232164
(d,l)-Tetrahydroberberine

MDL Number

MFCD00067284

FAQ

What is 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4)?

9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4) is a complex organic compound with a unique structure, characterized by its dioxolo and isoquinoline moieties. It is typically used in pharmaceutical research and development for its potential biological activities.

What are the main uses of 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4)?

9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4) is primarily used in the pharmaceutical industry for developing new drugs due to its potential biological activities. It may also be used in research for its structural properties and possible medicinal applications.

Is 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4) safe?

9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4) is generally safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment, and to be aware of potential skin or respiratory irritation. Storage should be in a cool, dry place away from direct sunlight.

How should 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4) be stored?

9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline (CAS: 522-97-4) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and contamination. Maintain a temperature below 25°C and store in a well-ventilated area to ensure safety and stability.