Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-13 11:51:33 UTC |
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Update Date | 2022-03-07 02:57:14 UTC |
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HMDB ID | HMDB0041984 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Pholcodine |
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Description | Pholcodine, also known as folcodina or ethnine, 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. Based on a literature review a significant number of articles have been published on Pholcodine. |
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Structure | [H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1 |
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Synonyms | Value | Source |
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3-(2-(4-Morpholinyl)ethyl)morphine | ChEBI | 3-(2-Morpholinoethyl)morphine | ChEBI | 3-Morpholinoethylmorphine | ChEBI | 3-Morpholylaethylmorphin | ChEBI | 7,8-Didehydro-4,5-alpha-epoxy-17-methyl-3-(2-morpholinoethoxy)morphinan-6-alpha-ol | ChEBI | beta-Morpholinoethylmorphine | ChEBI | Folcodina | ChEBI | Morpholinylethylmorphine | ChEBI | Pholcodinum | ChEBI | Tetrahydro-1,4-oxazinylmethylcodeine | ChEBI | Pholcodine linctus | Kegg | 7,8-Didehydro-4,5-a-epoxy-17-methyl-3-(2-morpholinoethoxy)morphinan-6-a-ol | Generator | 7,8-Didehydro-4,5-α-epoxy-17-methyl-3-(2-morpholinoethoxy)morphinan-6-α-ol | Generator | b-Morpholinoethylmorphine | Generator | Β-morpholinoethylmorphine | Generator | (5alpha,6alpha)-17-Methyl-3-[2-(morpholin-4-yl)ethoxy]-7,8-didehydro-4,5-epoxymorphinan-6-ol | HMDB | 03-(2-Morpholinoethyl)-morphine | HMDB | 3-Morpholylathylmorphin | HMDB | 3-O-(2-Morpholinoethyl)-morphine | HMDB | beta-Morpholinylethylmorphine | HMDB | Codylin | HMDB | Dia-tuss | HMDB | Ethnine | HMDB | Ethnine simplex | HMDB | Folcodine | HMDB | Folkodin | HMDB | Galenphol | HMDB | Galphol | HMDB | Glycodine | HMDB | Hibernyl | HMDB | Homocodeine | HMDB | Memine | HMDB | Neocodin | HMDB | Neocodine | HMDB | O3-(2-Morpholinoethyl)morphine | HMDB | Pectolin | HMDB | Pholcodin | HMDB | Pholtex | HMDB | Prodromine | HMDB | Tussokon | HMDB | Weifacodine | HMDB | 7,8-Didehydro-4,5 alpha-epoxy-17-methyl-3-(2-morpholinoethoxymorphinan-6 alpha-ol) | HMDB |
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Chemical Formula | C23H30N2O4 |
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Average Molecular Weight | 398.4953 |
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Monoisotopic Molecular Weight | 398.220557458 |
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IUPAC Name | (1S,5R,13R,14S,17R)-4-methyl-10-[2-(morpholin-4-yl)ethoxy]-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-ol |
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Traditional Name | memine |
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CAS Registry Number | 509-67-1 |
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SMILES | [H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O |
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InChI Identifier | InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1 |
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InChI Key | GPFAJKDEDBRFOS-FKQDBXSBSA-N |
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Chemical Taxonomy |
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Description | 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. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Morphinans |
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Sub Class | Not Available |
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Direct Parent | Morphinans |
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Alternative Parents | |
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Substituents | - Morphinan
- Phenanthrene
- Tetralin
- Coumaran
- Alkyl aryl ether
- Aralkylamine
- Morpholine
- Oxazinane
- Piperidine
- Benzenoid
- Tertiary aliphatic amine
- Secondary alcohol
- Tertiary amine
- Oxacycle
- Dialkyl ether
- Ether
- Azacycle
- Organoheterocyclic compound
- Organonitrogen compound
- Organic nitrogen compound
- Amine
- Organooxygen compound
- Alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 91 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 20 mg/mL | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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