Orteronel (CHEM100687)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 11:52:33 UTC | ||||||||
| Update Date | 2026-08-19 23:38:17 UTC | ||||||||
| Accession Number | CHEM100687 | ||||||||
| Identification | |||||||||
| Common Name | Orteronel | ||||||||
| Class | Small Molecule | ||||||||
| Description | Orteronel is an organic compound with the formula C18H17N3O2 and an average molecular weight of 307.35 g/mol. Orteronel belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. In terms of its chemical classification, it is further categorized as a benzenoid. This compound has been identified in or released from one recorded source, specifically electric hearing aids used in electrical and electronic equipment. Biologically, it acts as a modulator of the protein target Steroid 17-alpha-hydroxylase/17,20 lyase (CYP17A1). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H17N3O2 | ||||||||
| Average Molecular Mass | 307.353 g/mol | ||||||||
| Monoisotopic Mass | 307.132 g/mol | ||||||||
| CAS Registry Number | 566939-85-3 | ||||||||
| IUPAC Name | 6-[(7S)-7-hydroxy-5H,6H,7H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CNC(=O)C1=CC=C2C=C(C=CC2=C1)[C@@]1(O)CCN2C=NC=C12 | ||||||||
| InChI Identifier | InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1 | ||||||||
| InChI Key | OZPFIJIOIVJZMN-SFHVURJKSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
