Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate

Basic Information

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CAS Number

76-66-4

Molecular Formula

C22H28N2O4

Molecular Weight

384.48 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

216°; mp 197-199° (Ban et al., loc. cit.)

Density

1.23

Solubility

Methanol,Acetontrile,Acetone,DMSO,DMF

Specific Rotation

D13 -14.7° (c = 2.5 in chloroform)

SMILES

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CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)c4ccccc4NC3=O

InChI

InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1

InChIKey

DAXYUDFNWXHGBE-KAXDATADSA-N

LogP

2.7002000000000006

pKa

6.4(at 25℃)

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

663

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Rhynchophylline
Rhyncholphylline
Ellagic acid
mitrinermin
MITRINERMINE
rhynchophyllin
rhyncophylline
(αE,1′R,6′R,7′S,8′aS)-6′-Ethyl-1,2,2′,3′,6′,7′,8′,8′a-octahydro-α-(methoxymethylene)-2-oxo- Spiro[3H-indole-3,1′(5′H)-indolizine]-7′-acetic acid methyl ester
(7β,16E,20α)-16,17-Didehydro-17-methoxy-2-oxo-corynoxan-16-carboxylic acid methyl ester
NSC 21731
Methyl (E)-2-[(6'R,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Methyl 2-[(3R,8'aR)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-
Rhyncophylline,Mitrinermin,Mitrinermine,Rhynchophyllin

MDL Number

MFCD00221748

FAQ

What is Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4)?

Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4) is a complex organic compound with a molecular formula of C21H34O6. It belongs to the opioid class and is characterized by its structural features, including a methoxy group and a conjugated double bond. This compound is known for its potential pharmacological activity, though specific properties may vary based on its synthesis and application.

What are the main uses of Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4)?

Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4) is primarily used in pharmaceutical research for its analgesic and antispasmodic properties. It may also find applications in medicinal chemistry as a precursor for opioid derivatives. Its use in industrial or food sectors is limited, and it is mainly studied for potential therapeutic benefits in treating pain and muscle spasms.

Is Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4) safe?

The safety of Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4) depends on its handling and application. As an opioid-related compound, it may pose risks such as toxicity if misused. Proper safety measures, including gloves, ventilation, and adherence to regulatory guidelines, are essential. Limited data exists on long-term effects, so consulting safety data sheets and expert advice is recommended for safe handling.

How should Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4) be stored?

Methyl (7beta,16E,20alpha)-16-(methoxymethylene)-2-oxocorynoxan-17-oate (CAS: 76-66-4) should be stored in a cool, dry place, away from light and moisture. It is typically kept in sealed, airtight containers to maintain stability. Avoid exposure to high temperatures and humidity, as these may affect its chemical integrity. Always follow manufacturer guidelines for storage conditions to ensure safety and efficacy.