Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-25 18:14:48 UTC |
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Update Date | 2016-11-09 01:17:23 UTC |
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Accession Number | CHEM021885 |
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Identification |
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Common Name | 19-Norandrosterone |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | - FooDB Chemicals
- HMDB Contaminants - Urine
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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(3a,5a)-3-Hydroxy-estran-17-one | HMDB | 19-Noreoiandrosterone | HMDB | 3-Hydroxyestran-17-one | HMDB | 3a-Hydroxy-5a-estran-17-one | HMDB | 5a-Estran-3a-ol-17-one | HMDB | 19-Norandrosterone, (3alpha,5alpha)-isomer | HMDB | 19-Norandrosterone, (3alpha,5beta)-isomer | HMDB | 19-Norandrosterone, (3beta)-isomer | HMDB | 19-Norandrosterone, (3beta,5alpha)-isomer | HMDB | 19-Norandrosterone, (3beta,5alpha,8alpha,9beta,10alpha,13alpha,14beta)-isomer | HMDB | 19-Norandrosterone, (3beta,5beta)-isomer | HMDB | 19-Noretiocholanolone | HMDB | 2,2,3,4,4,-D5-19-Nor-5alpha-androsterone | HMDB | 19-Norandrosterone | MeSH |
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Chemical Formula | C18H28O2 |
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Average Molecular Mass | 276.414 g/mol |
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Monoisotopic Mass | 276.209 g/mol |
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CAS Registry Number | 1225-01-0 |
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IUPAC Name | (1R,2S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-one |
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Traditional Name | 3-hydroxyestran-17-one |
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SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(O)CC3CC[C@@]21[H] |
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InChI Identifier | InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11?,12?,13-,14+,15+,16-,18-/m0/s1 |
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InChI Key | UOUIARGWRPHDBX-AWLYHSJUSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Estrane steroids |
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Direct Parent | Estrogens and derivatives |
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Alternative Parents | |
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Substituents | - Estrogen-skeleton
- Oxosteroid
- 17-oxosteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00ls-0390000000-690faa27d079a2793b93 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0g1r-2269000000-927e4978162cfa2c72d4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-020f4653853c30d0fb3e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-fbcac4cd1c51b535f3d3 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4m-1190000000-8e893b5bd8d4088c8a09 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a6r-0090000000-cbc92b8361a51e9f9374 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05r0-0390000000-8f98ba1efcc73acea899 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f92-5980000000-22ddcd9c3181e54f339e | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0002697 |
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FooDB ID | FDB023046 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | 19-Norandrosterone |
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Chemspider ID | 113705 |
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ChEBI ID | 36412 |
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PubChem Compound ID | 128251 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | 1. Caglioti, L.; Cainelli, G.; Maina, G.; Selva, A. Hydroboration. V. New synthesis of androsterone and 19-norandrosterone. Tetrahedron (1964), 20(4), 957-61. | 2. Caglioti, L.; Cainelli, G.; Maina, G.; Selva, A. Hydroboration. V. New synthesis of androsterone and 19-norandrosterone. Tetrahedron (1964), 20(4), 957-61. | 3. Schrader Y, Thevis M, Schanzer W: Quantitative determination of metabolic products of 19-norandrostenediol in human plasma using gas chromatography/mass spectrometry. Drug Metab Dispos. 2006 Aug;34(8):1328-35. Epub 2006 May 19. |
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