analytical standard,100 μg/mL in methanol Étalon d'analyse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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.
| Sourires canoniques | C1CC1CN2CCC34C5C(=O)CCC3(C2C(=O)C6=C4C(=C(C=C6)O)O5)O |
|---|---|
| IUPAC Name | (4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione |
| InChIKey | MLHMRULRADVYER-FUMNGEBKSA-N |
| INCHI | 1S/C20H21NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,17-18,22,25H,1-2,5-9H2/t17-,18+,19+,20-/m1/s1 |
| Isomères SMILES | C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2C(=O)C6=C4C(=C(C=C6)O)O5)O |
| CAS alternatif | 96445-14-6 |
| PubChem CID | 5486980 |
| Termes d'entrée MeSH | 10-ketonaltrexone |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Phenanthrenes and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrenes and derivatives |
| Alternative Parents | Isoquinolones and derivatives Tetralins Coumarans Aryl alkyl ketones Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperidines Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenanthrene - Isoquinolone - Tetralin - Coumaran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Piperidine - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. |
| External Descriptors | Not available |
| Poids moléculaire | 355.400 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 355.142 Da |
| Monoisotopic Mass | 355.142 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 692.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
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