(6R)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one

Basic Information

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CAS Number

485-49-4

Molecular Formula

C20H17NO6

Molecular Weight

367.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

195.0 to 199.0 deg-C

Boiling Point

542.3°C at 760 mmHg

Flash Point

281.8 °C

Solubility

Solubility in Chloroform almost transparency

Refractive Index

1.5600 (estimate)

Specific Rotation

D25 +130.5° (CHCl3)

SMILES

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CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3

InChI

InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1

InChIKey

IYGYMKDQCDOMRE-ZWKOTPCHSA-N

LogP

2.5846999999999998

pKa

4.84(at 25℃)

Topological Polar Surface Area

66.46000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

615

Safety Information

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GHS Hazard Pictograms

H300

H311

H331

H400

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

-20℃

Synonyms & References

English

bicucullin
(+)-BICUCULINE
BICUCULLINE
D-BICUCULLINE
(+)-Bicuculline
Furo[3,4-e]-1,3-benzodioxol-8(6H)-one,6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-
2-BroMo-3-Methylpyridine
bicucculine
PLUS-BICUCULLINE
(R-(R*,S*))-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-furo(3,4-e)-1,3-benzodioxol-8(6H)-one
[ "" ]
Bicculine
Bicuculline (+)
C20H17NO6
Y37615DVKC
(6R)-6-[(5S)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one
NSC32192
Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,S*))-
(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g
d-Bicuculline
Bicuculline
(+)-Bicuculline,Bicucullin,Bucuculline,d-Bicuculline

MDL Number

MFCD00005006

FAQ

What is (6R)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one (CAS: 485-49-4)?

This compound, with the CAS number 485-49-4, is a complex organic molecule classified as a benzodioxole derivative. It contains multiple fused rings and is known for its structural complexity, which often makes it relevant in medicinal chemistry. The compound has a molecular formula of C18H18O6 and exhibits properties typical of heterocyclic compounds, including potential biological activity. It is commonly used as a building block in the synthesis of pharmaceuticals and bioactive molecules.

What are the main uses of (6R)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one (CAS: 485-49-4)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting neurological and inflammatory conditions. It serves as an intermediate in the synthesis of various bioactive compounds and is also utilized in organic synthesis for its structural versatility. Additionally, it may have applications in the creation of agrochemicals and specialty chemicals due to its unique molecular framework.

Is (6R)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one (CAS: 485-49-4) safe?

The safety of this compound (CAS: 485-49-4) depends on its application and handling. It is generally considered safe when used in controlled laboratory settings with proper protective measures. However, as with many organic compounds, it should be handled with care to avoid skin contact, inhalation, or ingestion. Safety data sheets (SDS) should be consulted for specific handling and disposal guidelines to ensure compliance with chemical safety standards.

How should (6R)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one (CAS: 485-49-4) be stored?

This compound (CAS: 485-49-4) should be stored in a cool, dry, and well-ventilated area, away from direct light and moisture. It is recommended to keep it in a sealed container made of glass or high-density polyethylene (HDPE) to prevent exposure to air and contaminants. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.