| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:14:28 UTC |
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| Update Date | 2020-05-11 20:05:22 UTC |
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| BMDB ID | BMDB0004995 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Codeine |
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| Description | Codeine 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. Codeine is a very strong basic compound (based on its pKa). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C18H21NO3 |
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| Average Molecular Weight | 299.37 |
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| Monoisotopic Molecular Weight | 299.15214354 |
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| IUPAC Name | (1S,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol |
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| Traditional Name | (1S,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol |
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| CAS Registry Number | Not Available |
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| SMILES | [H]C12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)C([H])(C4)C1([H])C=C[C@]2([H])O |
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| InChI Identifier | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11?,12?,13-,17?,18-/m0/s1 |
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| InChI Key | OROGSEYTTFOCAN-GLAODNLDSA-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
- Anisole
- Phenol ether
- Alkyl aryl ether
- Aralkylamine
- Piperidine
- Benzenoid
- Secondary alcohol
- Tertiary amine
- Tertiary aliphatic amine
- Azacycle
- Oxacycle
- Ether
- Organoheterocyclic compound
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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