Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)is a complex organic compound with a unique molecular structure. It is characterized by its quinolizine core, which is fused with an indolo ring, and features a methyl ester group and a methoxymethylene moiety. Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)is a derivative of a larger class of compounds known for their diverse biological activities and potential applications in various fields.
4697-66-9
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Basic information
- Product Name: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-
- Synonyms: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-;Paynantheine
- CAS NO:4697-66-9
- Molecular Formula: C23H28N2O4
- Molecular Weight: 396.47942
- EINECS: N/A
- Product Categories: N/A
- Mol File: 4697-66-9.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 561.8°Cat760mmHg
- Flash Point: 293.6°C
- Appearance: /
- Density: 1.23g/cm3
- Vapor Pressure: 1.19E-12mmHg at 25°C
- Refractive Index: 1.614
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 18.25±0.60(Predicted)
- CAS DataBase Reference: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-(CAS DataBase Reference)
- NIST Chemistry Reference: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-(4697-66-9)
- EPA Substance Registry System: Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-(4697-66-9)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 4697-66-9(Hazardous Substances Data)
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4697-66-9 Usage
Uses
1. Used in Pharmaceutical Industry:Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)is used as a potential therapeutic agent for various medical conditions due to its unique chemical structure and biological properties. Its specific application reason and target conditions would depend on further research and development in the pharmaceutical field.
2. Used in Chemical Research:
Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)is also used as a research tool in the field of organic chemistry, particularly for studying the synthesis, structure, and reactivity of complex organic molecules. Its unique structure makes it an interesting subject for exploring new synthetic pathways and understanding the relationship between molecular structure and biological activity.
3. Used in Drug Development:
Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)may be utilized in the development of new drugs, particularly those targeting specific biological pathways or receptors. Its potential use in drug development would be based on its ability to modulate these pathways or interact with specific targets, which could be determined through further research and preclinical studies.
Check Digit Verification of cas no
The CAS Registry Mumber 4697-66-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,9 and 7 respectively; the second part has 2 digits, 6 and 6 respectively.Calculate Digit Verification of CAS Registry Number 4697-66:
(6*4)+(5*6)+(4*9)+(3*7)+(2*6)+(1*6)=129
129 % 10 = 9
So 4697-66-9 is a valid CAS Registry Number.
InChI:InChI=1/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19-/m0/s1
4697-66-9Upstream product
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Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-
