9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium

Basic Information

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CAS Number

2086-83-1

Molecular Formula

C20H18NO4

Molecular Weight

336.4 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

Yellow powder

Melting Point

204-206 °C (dec.)

Boiling Point

486.8°C (rough estimate)

Solubility

9.623 mg/L @ 25 °C (est)

Refractive Index

1.5800 (estimate)

SMILES

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COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

InChI

InChI=1S/C20H18NO4/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/h3-4,7-10H,5-6,11H2,1-2H3/q+1

InChIKey

YBHILYKTIRIUTE-UHFFFAOYSA-N

LogP

3.09630

pKa

2.47(at 25℃)

Complexity

488

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-
BERBERINE [VANDF]
KBio2_006726
BERBERINE (CONSTITUENT OF GOLDENSEAL) [DSC]
2086-83-1
NCGC00016526-08
BERBERINE [WHO-DD]
NINDS_000265
Spectrum_001110
34MD1011DM
NCGC00016526-01
FT-0603587
BRN 3570374
NCGC00091896-03
Spectrum3_000618
DTXSID9043857
Prestwick0_000586
KBio1_000265
GNF-PF-4545
NS00009669
BERBERINE [MART.]
3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium
9,10-Dimethoxy-5,6-dihydro-7lambda~5~-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
NSC646666
BCBcMAP01_000112
Berberal
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-
CHEMBL295124
Spectrum4_000785
7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium
inverted exclamation markY97%

MDL Number

MFCD01175817

Customs Code

2934999090

FAQ

What is 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1)?

9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1) is an organic compound with a complex heterocyclic structure. It contains multiple oxygen atoms and is classified as a quaternary ammonium salt. This compound is known for its unique chemical properties, including solubility in polar solvents and potential applications in various scientific fields due to its structural versatility.

What are the main uses of 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1)?

The compound 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1) is primarily used in pharmaceutical research for its potential biological activity. It also finds applications in organic synthesis as a building block for more complex molecules and in material science due to its structural features. Its uses may extend to other specialized fields where functionalized heterocycles are required.

Is 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1) safe?

The safety of 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1) depends on its handling and exposure conditions. As a chemical compound, it should be treated with care, and appropriate safety measures such as gloves and ventilation are recommended. While it is generally considered stable under normal conditions, its potential toxicity requires adherence to safety standards during use and storage.

How should 9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1) be stored?

9,10-Dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (CAS: 2086-83-1) should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container away from moisture and air to prevent degradation. Storage at temperatures below 25°C is recommended, and it should be kept out of reach of children and not exposed to direct sunlight to ensure long-term integrity.