Domitroban (CHEM121329)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 09:14:42 UTC | ||||||||
| Update Date | 2026-08-20 06:28:05 UTC | ||||||||
| Accession Number | CHEM121329 | ||||||||
| Identification | |||||||||
| Common Name | Domitroban | ||||||||
| Class | Small Molecule | ||||||||
| Description | Domitroban is an organic compound with the chemical formula C20H27NO4S and an average molecular weight of 377.50 g/mol. Domitroban belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. Regarding its biological activity, the compound acts as an antagonist of the Thromboxane A2 receptor (TBXA2R). Domitroban has been identified in or released from 13 recorded sources across several sectors. These include Electrical & Electronic Equipment, specifically batteries, printed circuit boards, capacitors, cell phones, and wires and cables. In the Textiles, leather & furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Within the Energy, oil & gas and Industrial manufacturing & chemical processing sectors, it is associated with lubricants. Additional sources include medical devices from the Healthcare, pharmaceuticals & veterinary products sector and food packaging from the Food, food processing & cookware sector, along with one other sector. Recorded routes of exposure for this compound include oral, touch, and inhalation. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H27NO4S | ||||||||
| Average Molecular Mass | 377.500 g/mol | ||||||||
| Monoisotopic Mass | 377.166 g/mol | ||||||||
| CAS Registry Number | 112966-96-8 | ||||||||
| IUPAC Name | (Z)-7-[(1R,2S,3S,4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1 | ||||||||
| InChI Key | PWTCIBWRMQFJBC-ZEMKZVSASA-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 | ||||||||
| Spectra | |||||||||
| Spectra |
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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 | ||||||||
