식별자 및 물리적 특성
| CAS No. | 25104-12-5 |
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| 분자식 | C5H12N2O2 |
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| 평균 분자량 | 132.16 g/mol |
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| 단동위원소 질량 | 132.08987762 g/mol |
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| SMILES | NCCC[C@H](N)C(=O)O |
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| InChIKey | AHLPHDHHMVZTML-BYPYZUCNSA-N |
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| PubChem CID | 6262 |
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| ChEMBL | CHEMBL446143 |
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| ChEBI | CHEBI:15729 |
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| EC No. | 200-731-7 |
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| DTXSID | DTXSID00883219 |
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| 현지명 | 폴리오르니틴 |
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화학 및 물리적 성질
| XLogP | -4.4 |
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| 극성 표면적 | 89.3 |
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| 수소 결합 공여자 수 | 3 |
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| 수소 결합 수용자 수 | 4 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 9 |
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| 형식 전하 | 0 |
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| 복잡도 | 95 |
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| 물질 분류 | Biological Agents -> Amino Acids and Derivatives |
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| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
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| 화장품 | Skin conditioning |
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| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
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| LogP(분배 계수) | -4.22 |
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| 용해도 | Appreciable620 mg/mL |
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| 녹는점 | 140 °C |
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| Physical Description | Colorless solid[Merck Index] |
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| Dissociation Constants | 1.94 (at 25 °C) |
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| Collision Cross Section | 127.7 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]129.79 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]127.81 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]121 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine] |
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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 2 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: L-OrnithineStatus: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23820L-Ornithine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| 기타 안전 정보 | IMAP assessments - L-Ornithine: Environment tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| 건강 영향 | Chronically high levels of ornithine are associated with at least 9 inborn errors of metabolism including: Cystathionine Beta-Synthase Deficiency, Hyperornithinemia with gyrate atrophy, Hyperornithinemia-hyperammonemia-homocitrullinuria syndrome, Hyperornithinemia-hyperammonemia-homocitrullinuria syndrome, Hyperprolinemia Type II, Lysinuric Protein Intolerance, Ornithine Aminotransferase Deficiency, Ornithine Transcarbamylase Deficiency and Prolinemia Type II. |
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| 노출 경로 | Absorbed from the small intestine via a sodium-dependent active transport process |
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| 독성 요약 | L-Ornithine is metabolised to L-arginine. L-arginine stimulates the pituitary release of growth hormone. Burns or other injuries affect the state of L-arginine in tissues throughout the body. As De novo synthesis of L-arginine during these conditions is usually not sufficient for normal immune function, nor for normal protein synthesis, L-ornithine may have immunomodulatory and wound-healing activities under these conditions (by virtue of its metabolism to L-arginine). |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| Toxicity Data | Oral, rat LD<sub>50</sub> = 10000 mg/kg |
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