식별자 및 물리적 특성
| CAS No. | 52882-37-8 |
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| 분자식 | C33H47O13N |
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| 평균 분자량 | 665.7 g/mol |
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| 단동위원소 질량 | 665.30474055 g/mol |
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| SMILES | C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O |
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| InChIKey | NCXMLFZGDNKEPB-FFPOYIOWSA-N |
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| PubChem CID | 5284447 |
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| ChEMBL | CHEMBL1200656 |
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| EC No. | 231-683-5 |
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| DTXSID | DTXSID6021163 |
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화학 및 물리적 성질
| XLogP | -1.3 |
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| 극성 표면적 | 231 |
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| 수소 결합 공여자 수 | 7 |
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| 수소 결합 수용자 수 | 14 |
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| 회전 가능 결합 수 | 3 |
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| 무거운 원자 수 | 47 |
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| 형식 전하 | 0 |
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| 복잡도 | 1,220 |
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| 의약품 | Pharmaceuticals -> Antibiotics |
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| pH | 5,5-7,5 (1 % w/v solution in previously neutralised mixture of 20 parts dimethylformamide and 80 parts of water) |
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| 농약 | Other TreatmentActive substance -> EU Pesticides database: Pending |
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| 식품 첨가물 | FUMIGANT -> FDA Substance added to food |
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| Human Drugs | Breast FeedingLactationMilk, HumanAntibacterial AgentsAnti-Infective Agents, LocalAntifungal AgentsFDA approved drugs -> Active ingredientOphthalmological preparations > Anti-infective agents |
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| Optical Rotation | [α]D/20 + 250° to + 295° (a 1 % w/v solution in glacial acetic acid, at 20 °C and calculated with reference to the dried material) |
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| Physical Description | White to creamy-white crystalline powder |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.Not ClassifiedAggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Directive (EC) No 2/1995 (Repealed by Reg. EC No 1333/2008 (amended))Natamycin: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - Pimaricin: Environment tier I assessmentIMAP assessments - 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-.beta.-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-: Environment tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
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