for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=CC4)OC(=O)C6=CC=CC=C6.Cl |
|---|---|
| IUPAC Name | [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride |
| InChIKey | VVCUIDHKAHHSAN-JJHQWJQCSA-N |
| INCHI | 1S/C25H25NO4.ClH/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26;/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3;1H/t17-,18-,23+,25+;/m1./s1 |
| Isomeric SMILES | CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)OC(=O)C6=CC=CC=C6.Cl |
| Molecular Weight | 439.9 |
| Reaxy-Rn | 41539606 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41539606&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Morphinans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Morphinans |
| Alternative Parents | Phenanthrenes and derivatives Tetralins Benzoic acid esters Coumarans Anisoles Benzoyl derivatives Alkyl aryl ethers Aralkylamines Piperidines Enol esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Morphinan - Phenanthrene - Benzoate ester - Tetralin - Benzoic acid or derivatives - Coumaran - Anisole - Benzoyl - Phenol ether - Aralkylamine - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Enol ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. |
| External Descriptors | Not available |
![[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride - CAS No(76322220) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/6/S671291.jpg)