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Basic Description
| Synonyms | 5H-[1,3]dioxolo[4,5-f]indole | 5,6-Methylenedioxyindole | 267-48-1 | MFCD00046910 | NSC92516 | 5,6-methylendioxyindol | 5H-1,5-f]indole | 5,6-methylenedioxy-indole | NCIOpen2_001545 | Oprea1_641216 | SCHEMBL612104 | CHEMBL4852117 | AMY9704 | DTXSID30949519 | HXCHORPNRVSDCD-UHFFFAOYS |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Indoles Benzenoids Pyrroles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Indole - Indole or derivatives - Benzenoid - Heteroaromatic compound - Pyrrole - Oxacycle - Azacycle - Acetal - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504758190 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758190 |
| IUPAC Name | 5H-[1,3]dioxolo[4,5-f]indole |
| INCHI | InChI=1S/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,10H,5H2 |
| InChIKey | HXCHORPNRVSDCD-UHFFFAOYSA-N |
| Smiles | C1OC2=C(O1)C=C3C(=C2)C=CN3 |
| Isomeric SMILES | C1OC2=C(O1)C=C3C(=C2)C=CN3 |
| Molecular Weight | 161.16 |
| Reaxy-Rn | 132678 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132678&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2222685 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
| I2222686 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
| I2222687 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
| I2222961 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
| I2222960 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
| G2408066 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
| I2222684 |
Certificate of Analysis | Jul 20, 2022 | H192431 |
Chemical and Physical Properties
| Molecular Weight | 161.160 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 161.048 Da |
| Monoisotopic Mass | 161.048 Da |
| Topological Polar Surface Area | 34.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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